SCHEMBL171391

SCHEMBL171391

N#Cc1ccc(C2=CCNCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
SIGMAR1 Q99720 2/20 0.42
HTR2C P28335 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
QDPR P09417 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL13490340 0.86 SIGMAR1 (0.41) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL171607 0.78 HTR2C (0.59) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL103834 0.78 CCR1 (0.48) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL29936063 0.78 SIGMAR1 (0.44) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL10068060 0.78 QDPR (0.59) SIGMAR1HTR2CHRH3QDPRWNT3A
SCHEMBL2174403 0.78 HRH3 (0.46) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL1749915 0.78 SIGMAR1 (0.59) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL13490633 0.78 SIGMAR1 (0.44) SIGMAR1HTR2CHRH3QDPRWNT3A
SCHEMBL171525 0.78 SIGMAR1 (0.44) HTR6SIGMAR1HTR2CHRH3QDPR
SCHEMBL30851448 0.78 HTR2C (0.59) HTR6SIGMAR1HTR2CHRH3QDPR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2025-01-30 US disclosed
CN-118084916-A Tri-heterocyclic compounds and uses thereof 成都赜灵生物医药科技有限公司 2024-05-28 CN disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (8 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 HTR6 4695/4885SIGMAR1 3593/4885HTR2C 4833/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 HTR6 4695/4885SIGMAR1 3593/4885HTR2C 4833/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HTR6 4316/4885SIGMAR1 4815/4885HTR2C 4471/4885
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 HTR6 124/4885SIGMAR1 1466/4885HTR2C 399/4885
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 HTR6 464/4885SIGMAR1 4226/4885HTR2C 1340/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HTR6 110/4885SIGMAR1 1270/4885HTR2C 391/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 HTR6 4695/4885SIGMAR1 3593/4885HTR2C 4833/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HTR6 4316/4885SIGMAR1 4815/4885HTR2C 4471/4885

“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.