SCHEMBL10245400

SCHEMBL10245400

CCOCCCN1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
DRD3 P35462 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
PAOX Q6QHF9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL26940896 0.96 ALDH1A1 (0.45) HRH3DRD3NPC1RAB9AALDH1A1
SCHEMBL20333607 0.96 HRH3 (0.41) HRH3DRD3NPC1RAB9AALDH1A1
SCHEMBL13196236 0.94 ALDH1A1 (0.49) HRH3DRD3NPC1RAB9AALDH1A1
SCHEMBL11569854 0.93
SCHEMBL29322718 0.93 MAPK1 (0.40) HRH3RAB9AALDH1A1KDM4EGNAI3
SCHEMBL10961176 0.91 CYP2D6 (0.41) HRH3NPC1RAB9AALDH1A1KDM4E
SCHEMBL735201 0.91 ALDH1A1 (0.46) HRH3DRD3NPC1RAB9AALDH1A1
SCHEMBL20333406 0.85 KDM4E (0.40) HRH3DRD3NPC1RAB9AALDH1A1
SCHEMBL20333247 0.85 SIGMAR1 (0.37) HRH3DRD3NPC1RAB9AALDH1A1
SCHEMBL19604922 0.85 GNAI3 (0.47) HRH3DRD3NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
EP-3350181-B1 HER3 LIGANDS AND USES THEREOF UNIV CALIFORNIA (US) 2023-11-01 EP disclosed
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
WO-2021195599-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
WO-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 WO disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
EP-2704720-B1 PYRUVATE KINASE R ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed
WO-2018053354-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-03-22 WO disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20110207741-A1 Activation of the Renin-Angiotensin System (RAS) and Sudden Cardiac Death THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-08-25 US disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
EP-0144573-A2 Catalyst system for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-06-19 EP disclosed
US-4500654-A N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1985-02-19 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 (3 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 HRH3 1601/4885DRD3 2098/4885NPC1 815/4885
US-20110207741-A1 Activation of the Renin-Angiotensin System (RAS) and Sudden Cardiac Death GJA1, RASGRP1, RASGRP3 HRH3 3104/4885DRD3 2980/4885NPC1 2749/4885
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 HRH3 949/4885DRD3 1122/4885NPC1 2507/4885

“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.