SCHEMBL651023

SCHEMBL651023

O=C1Nc2ccccc2CCN1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
HTR2B P41595 6/20 0.49
HTR2A P28223 3/20 0.46
CALCRL Q16602 6/20 0.44
RAMP1 O60894 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
MAPT P10636 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL30178303 1.00 HTR2C (0.49) HTR2CHTR2BHTR2ACALCRLRAMP1
Hydrochloric Acid SCHEMBL1819629 0.99 HTR2C (0.48) HTR2CHTR2BHTR2ACALCRLRAMP1
Trifluoroacetic Acid SCHEMBL4781145 0.89 CALCRL (0.46) HTR2CHTR2BCALCRLRAMP1
SCHEMBL16313925 0.88 MAPT (0.47) CALCRLRAMP1NPC1MAPK13MAPK12
SCHEMBL13655773 0.85 CALCRL (0.44) CALCRLRAMP1NPC1MAPK13MAPK12
SCHEMBL3278838 0.85 CALCRL (0.44) CALCRLRAMP1NPC1MAPK13MAPK12
SCHEMBL1700379 0.85 CHRM2 (0.50) CALCRLRAMP1NPC1MAPK13MAPK12
SCHEMBL2100919 0.85 BRD4 (0.50) HTR2CHTR2BHTR2ACALCRLRAMP1
SCHEMBL31184539 0.85 BRD4 (0.50) HTR2CHTR2BHTR2ACALCRLRAMP1
SCHEMBL31184549 0.85 BRD4 (0.50) HTR2CHTR2BHTR2ACALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152439-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-17 US claimed
US-7696346-B2 2-oxoethyl(1R)-4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-1-[[3,5-dimethyl-4-(phenylmethoxy)phenyl]methyl]-2-[4-(4-morpholinyl)-1-piperidinyl]-1-piperidinecarboxylate; coupling alpha -hydroxy-3,5-dimethyl-4-(phenylmethoxy)-phenylpropionic acid-monosodium salt with 1,3-benzodiazepin compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US claimed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US claimed
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
WO-2004063171-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 WO disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 US disclosed
WO-2003076432-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-18 WO disclosed
EP-1163239-B1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-28 EP disclosed
US-6313097-B1 TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-06 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 (7 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 HTR2C 218/4885HTR2B 250/4885HTR2A 136/4885
US-20080045705-A1 Production Method CYP2F1, CYP7A1, CYP1A1 HTR2C 2103/4885HTR2B 1725/4885HTR2A 1937/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 HTR2C 291/4885HTR2B 223/4885HTR2A 231/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA HTR2C 58/4885HTR2B 74/4885HTR2A 55/4885
US-20100152439-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 HTR2C 2103/4885HTR2B 1725/4885HTR2A 1937/4885
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D HTR2C 292/4885HTR2B 181/4885HTR2A 184/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR HTR2C 245/4885HTR2B 173/4885HTR2A 183/4885

“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.