SCHEMBL3543013

SCHEMBL3543013

CCN1[C@H](C)CCC[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
MGLL Q99685 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
MAOB P27338 1/20 0.34
LTA4H P09960 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 3/20 0.31
GLA P06280 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL6902050 1.00 ACHE (0.39) ACHEMGLLHRH3HRH2HRH1
SCHEMBL13407651 1.00 ACHE (0.39) ACHEMGLLHRH3HRH2HRH1
SCHEMBL19529324 0.88
SCHEMBL4746456 0.88
SCHEMBL13674461 0.88
SCHEMBL25512114 0.83 ACHE (0.32) ACHEMGLLHRH3HRH2HRH1
SCHEMBL20352144 0.81
SCHEMBL19067245 0.79 MGLL (0.32) ACHEMGLL
SCHEMBL1286680 0.78 HRH3 (0.39) ACHEHRH3HRH2HRH1MAOB
SCHEMBL19074420 0.78 HRH3 (0.39) ACHEHRH3HRH2HRH1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384789-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2022-08-11 US disclosed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
WO-2022022600-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-03 WO disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
CN-111989294-A Method for preparing a porous oxidic material comprising micropores and mesopores and comprising a zeolitic material having a framework type AEI 巴斯夫欧洲公司 2020-11-24 CN disclosed
US-9802916-B2 Indazole-3-carboxamides and their use as Wnt/beta-catenin signaling pathway inhibitors SAMUMED, LLC (US) 2017-10-31 US disclosed
US-20160304488-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/BETA-CATENIN SIGNALING PATHWAY INHIBITORS VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2016-10-20 US disclosed
US-9221793-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors SAMUMED, LLC (US) 2015-12-29 US disclosed
US-20140045815-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/BETA-CATENIN SIGNALING PATHWAY INHIBITORS SAMUMED, LLC (US) 2014-02-13 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-01 US disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 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 (11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 ACHE 2578/4885MGLL 4115/4885HRH3 38/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ACHE 2578/4885MGLL 4115/4885HRH3 38/4885
US-20140045815-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/BETA-CATENIN SIGNALING PATHWAY INHIBITORS WNT3, WNT1, WNT3A ACHE 1269/4885MGLL 4613/4885HRH3 1700/4885
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH ACHE 92/4885MGLL 1699/4885HRH3 1235/4885
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 ACHE 3042/4885MGLL 2998/4885HRH3 2721/4885
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT ACHE 3429/4885MGLL 4048/4885HRH3 3553/4885
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ACHE 780/4885MGLL 4523/4885HRH3 276/4885
US-11407753-B2 Compounds for treating Huntington's disease HTT, HYPK, FH ACHE 92/4885MGLL 1699/4885HRH3 1235/4885
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NADK ACHE 3699/4885MGLL 2966/4885HRH3 3365/4885
US-12384789-B2 Compounds for treating Huntington's disease HTT, HYPK, FH ACHE 92/4885MGLL 1699/4885HRH3 1235/4885
US-20160304488-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/BETA-CATENIN SIGNALING PATHWAY INHIBITORS WNT3, WNT1, WNT3A ACHE 1269/4885MGLL 4613/4885HRH3 1700/4885

“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.