SCHEMBL4917141

SCHEMBL4917141

Cc1ccccc1CNCCN

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.72
▸ TAAR1 Q96RJ0 1/20 0.55
▸ SCN8A Q9UQD0 3/20 0.50
▸ HTT P42858 1/20 0.47
▸ CA12 O43570 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MC4R P32245 1/20 0.44
▸ MC5R P33032 1/20 0.44
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2A Q12879 2/20 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
SCHEMBL4908322 0.96 CHRM2 (0.73) CHRM2TAAR1SCN8AHTTCA12
SCHEMBL4919388 0.96 CHRM2 (0.73) CHRM2TAAR1SCN8AHTTCA12
SCHEMBL4909307 0.96 CHRM2 (0.73) CHRM2TAAR1SCN8AHTTCA12
SCHEMBL14399064 0.92 CHRM2 (0.73) CHRM2TAAR1SCN8AHTTCA12
SCHEMBL4913105 0.87 CHRM2 (0.77) CHRM2TAAR1SCN8AHTTCA12
SCHEMBL4912089 0.85 CHRM2 (0.81) CHRM2HTTCA12CA2TP53
SCHEMBL4916612 0.85 CHRM2 (0.81) CHRM2HTTCA12CA2TP53
SCHEMBL5034679 0.85 CHRM2 (0.81) CHRM2HTTCA12CA2TP53
SCHEMBL18575559 0.85 CA12 (0.54) CHRM2CA12CA2CA9KDM4E
SCHEMBL11228760 0.85 CHRM2 (0.53) CHRM2TAAR1SCN8ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 — — WO 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-107708853-A Encapsulating 恩盖普有限公司 2018-02-16 — — CN disclosed
WO-2017074995-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2017-05-04 — — WO disclosed
WO-2017074997-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2017-05-04 — — WO disclosed
US-20170113200-A1 Encapsulation Encapsys,LLC (US) 2017-04-27 — — US disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 — — US disclosed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 — — CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180235893-A1 ENCAPSULATION ACR, ACMSD, SAMM50 CHRM2 1120/4885TAAR1 646/4885SCN8A 2806/4885
US-10864167-B2 Encapsulation ACR, MPHOSPH6, ACMSD CHRM2 993/4885TAAR1 668/4885SCN8A 3042/4885

“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.

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