SCHEMBL614978

SCHEMBL614978

COc1ccccc1C1=CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.57
CDK9 P50750 3/20 0.57
HTR2C P28335 5/20 0.56
SIGMAR1 Q99720 1/20 0.53
QDPR P09417 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
DRD2 P14416 1/20 0.49
ALOX15 P16050 1/20 0.49
BRPF1 P55201 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1D P28221 1/20 0.48
MAPK1 P28482 1/20 0.48
BRCA1 P38398 1/20 0.48
HTR6 P50406 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL31348179 1.00 CCNT1 (0.57) CCNT1CDK9HTR2CSIGMAR1QDPR
SCHEMBL14704895 0.90 CCNT1 (0.49) CCNT1CDK9HTR2CSIGMAR1QDPR
SCHEMBL14704902 0.85 HTR7 (0.49) CCNT1CDK9HTR2CSIGMAR1MAPT
SCHEMBL4700586 0.85 HTR6 (0.51) CCNT1CDK9HTR2CSIGMAR1QDPR
SCHEMBL4701012 0.84 HTR1A (0.50) CCNT1CDK9HTR2CSIGMAR1QDPR
SCHEMBL6928010 0.83 HTR2C (0.51) CCNT1CDK9HTR2CSIGMAR1QDPR
SCHEMBL11633646 0.83 HTR2C (0.51) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL3547373 0.81 CCNT1 (0.61) CCNT1CDK9QDPREHMT2EHMT1
SCHEMBL27389211 0.80 KDM4E (0.55) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL31505963 0.80 CCNT1 (0.57) CCNT1CDK9QDPRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
EP-2742047-B1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-12 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2015-06-11 US disclosed
US-9012634-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2015-04-21 US disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
EP-2742047-A1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen R&D Ireland (IE) 2014-06-18 EP disclosed
US-6503928-B2 Central nervous system disorders; psychological disorders WYETH 2003-01-07 US disclosed
US-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6355642-B1 PSYCHOLOGICAL DISORDERS AND BRAIN DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2002-03-12 US disclosed
US-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US disclosed
EP-1140830-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
US-6239126-B1 ANTAGONISTS OF THE 5HT1A RECEPTOR SUBTYPE. AMERICAN HOME PRODUCTS CORPORATION 2001-05-29 US disclosed
WO-2000035874-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO disclosed
EP-0937715-A1 TETRAHYDROBENZINDOLE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1999-08-25 EP disclosed
EP-0886636-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT-1D.BETA. RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1998-12-30 EP disclosed
WO-1997028140-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT1Db RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO 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-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives ADRA1D, ADH1C, HTR1D CCNT1 2029/4885CDK9 881/4885HTR2C 21/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 CCNT1 908/4885CDK9 952/4885HTR2C 4634/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 CCNT1 4512/4885CDK9 4286/4885HTR2C 279/4885

“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.