SCHEMBL4919902

SCHEMBL4919902

Cc1cccc(CNCCN)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
MC4R P32245 2/20 0.54
MC5R P33032 2/20 0.54
MC3R P41968 1/20 0.47
CHRM2 P08172 3/20 0.47
IDO1 P14902 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.44
VSIR Q9H7M9 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
HTR6 P50406 1/20 0.43
DNM1 Q05193 1/20 0.43

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
SCHEMBL4919186 0.96 TAAR1 (0.55) TAAR1MC4RMC5RMC3RCHRM2
SCHEMBL4918654 0.96 TAAR1 (0.55) TAAR1MC4RMC5RMC3RCHRM2
SCHEMBL4908617 0.96 TAAR1 (0.55) TAAR1MC4RMC5RMC3RCHRM2
SCHEMBL10876835 0.93 MC4R (0.57) TAAR1MC4RMC5RMC3RCHRM2
SCHEMBL20127837 0.91 TAAR1 (0.53) TAAR1MC4RMC5RMC3RCHRM2
SCHEMBL20127841 0.90 CHRM2 (0.54) TAAR1MC4RMC5RMC3RCHRM2
SCHEMBL4911510 0.88 MEN1 (0.54) TAAR1CHRM2IDO1KDM4EMAPK1
SCHEMBL5034657 0.86 MEN1 (0.52) TAAR1CHRM2IDO1KDM4EMAPK1
SCHEMBL4917404 0.86 MEN1 (0.52) TAAR1CHRM2IDO1KDM4EMAPK1
SCHEMBL4916688 0.86 MEN1 (0.52) TAAR1CHRM2IDO1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
EP-3390483-B1 ENCAPSULATION PROCTER & GAMBLE (US) 2022-05-18 EP disclosed
CN-107708853-B Encapsulation 恩盖普有限公司 2021-12-07 CN disclosed
EP-3368207-B1 ENCAPSULATION ENCAPSYS LLC (US) 2021-12-01 EP disclosed
US-10864167-B2 Encapsulation THE PROCTER & GAMBLE COMPANY (US) 2020-12-15 US disclosed
EP-3390483-A1 ENCAPSULATION The Procter and Gamble Company (US) 2018-10-24 EP disclosed
EP-3368207-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2018-09-05 EP disclosed
US-20180235893-A1 ENCAPSULATION THE PROCTER & GAMBLE COMPANY 2018-08-23 US disclosed
US-9937477-B2 Encapsulation WATERTITE PRODUCTS, INC. 2018-04-10 US disclosed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC TAAR1 3741/4885MC4R 3609/4885MC5R 3562/4885
US-20180235893-A1 ENCAPSULATION ACR, ACMSD, SAMM50 TAAR1 646/4885MC4R 2155/4885MC5R 3077/4885
US-10864167-B2 Encapsulation ACR, MPHOSPH6, ACMSD TAAR1 668/4885MC4R 2321/4885MC5R 3327/4885

“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.