SCHEMBL4950698

SCHEMBL4950698

C#CC(N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP2D6 P10635 2/20 0.48
ANPEP P15144 2/20 0.48
MAOB P27338 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47

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
SCHEMBL4730309 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL28853816 0.89 EPHX1 (0.45) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL24098427 0.78 TAAR1 (0.40) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
SCHEMBL9045670 0.78 MAOB (0.46) TAAR1MAOASLC6A4MAOB
SCHEMBL10348476 0.78 ANPEP (0.47) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL79728 0.77 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2921309 0.77 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL10402865 0.77 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL79729 0.77 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1263137 0.77 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7247246-A None JP disclosed
EP-4436964-A1 ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY The University Of Western Australia (AU) 2024-10-02 EP disclosed
CN-116334018-A Heat-resistant reductive amination enzyme and preparation method and application thereof 上海交通大学 2023-06-27 CN disclosed
CN-116334153-A Reductive amination enzyme and preparation method and application thereof 上海交通大学 2023-06-27 CN disclosed
WO-2023092195-A1 ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-06-01 WO disclosed
CN-112174939-B Method for synthesizing 5-amino substituted 1H-1,2, 3-triazole from 2,2, 2-trifluoroethyl ketone 中国人民大学 2021-09-07 CN disclosed
CN-112174939-A Method for synthesizing 5-amino substituted 1H-1,2, 3-triazole from 2,2, 2-trifluoroethyl ketone 中国人民大学 2021-01-05 CN disclosed
US-9884891-B2 KISS1R receptor agonist compounds and use thereof for inducing ovulation in mammals INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2018-02-06 US disclosed
US-20150361138-A1 KISS1R RECEPTOR AGONIST COMPOUNDS AND USE THEREOF FOR INDUCING OVULATION IN MAMMALS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2015-12-17 US disclosed
EP-2951200-A1 KISS1R RECEPTOR AGONIST COMPOUNDS AND USE THEREOF FOR INDUCING OVULATION IN MAMMALS Institut National de la Recherche Agronomique (FR) 2015-12-09 EP disclosed
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
JP-H07247246-A 1-PHENYL-3-BUTYNE DERIVATIVE AND ITS PRODUCTION DAICEL CHEM IND LTD 1995-09-26 JP disclosed
EP-0281943-B1 Substituted pyridine-2,4-carboxylic acid derivatives, process for their preparation, their use as well as medicaments based on these compounds HOECHST AG (DE) 1994-01-12 EP disclosed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP disclosed
EP-0281943-A2 Substituted pyridine-2,4-carboxylic acid derivatives, process for their preparation, their use as well as medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-14 EP disclosed
US-3992366-A FOR CROSSLINKING PHOTOGRAPHIC GELATINS CIBA-GEIGY AG (CH) 1976-11-16 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-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers ITGB1, ITGAM, ITGB3 EPHX1 3121/4885SLC6A2 4300/4885TAAR1 2827/4885
US-20150361138-A1 KISS1R RECEPTOR AGONIST COMPOUNDS AND USE THEREOF FOR INDUCING OVULATION IN MAMMALS KISS1R, GNRHR, NPY1R EPHX1 4458/4885SLC6A2 2436/4885TAAR1 316/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA EPHX1 1333/4885SLC6A2 2926/4885TAAR1 961/4885

“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.