SCHEMBL4569262

SCHEMBL4569262

CC(=O)N1CCC(CCC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.43
EPHX1 P07099 3/20 0.43
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9917297 0.91 EPHX2 (0.38) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL11312926 0.87 EPHX2 (0.41) EPHX2EPHX1CYP1A2TDP1GNAI3
SCHEMBL4404343 0.84 EPHX2 (0.45) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL25904071 0.83 CXCR3 (0.38) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL19498095 0.82 CHRNB2 (0.44) EPHX2CYP1A2TDP1
SCHEMBL12536207 0.81 GNAI3 (0.42) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL9917298 0.81 CYP4F2 (0.37) ITGB3ITGA2B
SCHEMBL1501881 0.80 AKR1C3 (0.43) EPHX2EPHX1CYP1A2TDP1GNAI3
SCHEMBL12641 0.80 GNAI3 (0.45) EPHX2EPHX1CYP1A2TDP1GNAI3
SCHEMBL3955878 0.80 EPHX2 (0.42) EPHX2EPHX1CYP1A2TDP1GNAI3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 US disclosed
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2020-07-16 US disclosed
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases University of Washington Through its Center for Co (US) 2020-01-28 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
WO-2019013790-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB EPHX2 1456/4885EPHX1 1290/4885CYP1A2 1496/4885
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 EPHX2 2746/4885EPHX1 2114/4885CYP1A2 2974/4885
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 EPHX2 2746/4885EPHX1 2114/4885CYP1A2 2974/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EPHX2 1785/4885EPHX1 1507/4885CYP1A2 2099/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EPHX2 1785/4885EPHX1 1507/4885CYP1A2 2099/4885
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 EPHX2 2746/4885EPHX1 2114/4885CYP1A2 2974/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 EPHX2 3267/4885EPHX1 3641/4885CYP1A2 3545/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 EPHX2 3267/4885EPHX1 3641/4885CYP1A2 3545/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB EPHX2 1456/4885EPHX1 1290/4885CYP1A2 1496/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK EPHX2 2689/4885EPHX1 1790/4885CYP1A2 711/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB EPHX2 1456/4885EPHX1 1290/4885CYP1A2 1496/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB EPHX2 1456/4885EPHX1 1290/4885CYP1A2 1496/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 EPHX2 3282/4885EPHX1 3754/4885CYP1A2 1285/4885
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 EPHX2 2746/4885EPHX1 2114/4885CYP1A2 2974/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EPHX2 1801/4885EPHX1 1430/4885CYP1A2 1683/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 EPHX2 4306/4885EPHX1 3988/4885CYP1A2 4767/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 EPHX2 3267/4885EPHX1 3641/4885CYP1A2 3545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.