SCHEMBL12209130

SCHEMBL12209130

CC(C)N1CC2CCNCC2C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL21786928 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL17694861 0.89 HRH3 (0.33) HRH3
SCHEMBL19558161 0.88 HTR2C (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10360439 0.86 GNAI3 (0.33) HRH3
SCHEMBL10360894 0.86 HRH3 (0.31) HRH3
SCHEMBL12250822 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL27380454 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22827192 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL14224176 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL19756453 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 US disclosed
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
US-10385051-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2019-02-21 US disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-06-28 US disclosed
US-9944636-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-17 US disclosed
US-9944636-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-17 US disclosed
US-9822119-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-21 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
WO-2017031427-A1 COMPOUNDS AND METHODS FOR INHIBITING mTOR 3-V BIOSCIENCES, INC. (US) 2017-02-23 WO disclosed
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. 2016-10-20 US disclosed
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
US-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8669361-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-03-11 US disclosed
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-08 US disclosed
US-8436001-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-07 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 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 (12 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-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 CHRNB2 3921/4885CHRNB4 3904/4885CHRNA3 3170/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 CHRNB2 3921/4885CHRNB4 3904/4885CHRNA3 3170/4885
US-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CHRNB2 2163/4885CHRNB4 2395/4885CHRNA3 2187/4885
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 CHRNB2 1301/4885CHRNB4 2156/4885CHRNA3 1226/4885
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS CHRNB2 4163/4885CHRNB4 4440/4885CHRNA3 4271/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 CHRNB2 3921/4885CHRNB4 3904/4885CHRNA3 3170/4885
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CHRNB2 2163/4885CHRNB4 2395/4885CHRNA3 2187/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CHRNB2 2163/4885CHRNB4 2395/4885CHRNA3 2187/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CHRNB2 2163/4885CHRNB4 2395/4885CHRNA3 2187/4885
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC5 CHRNB2 1301/4885CHRNB4 2156/4885CHRNA3 1226/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A CHRNB2 2163/4885CHRNB4 2395/4885CHRNA3 2187/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS CHRNB2 4372/4885CHRNB4 4593/4885CHRNA3 4519/4885

“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.