SCHEMBL111252

SCHEMBL111252

COc1nccnc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.38
HRH1 P35367 4/20 0.38
KCNH2 Q12809 4/20 0.38
CHRM1 P11229 1/20 0.38
HRH2 P25021 1/20 0.35
APLNR P35414 1/20 0.32
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL29483319 1.00 CYP2D6 (0.38) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL15798919 0.81 CYP2D6 (0.31) CYP2D6HRH1KCNH2CHRM1
SCHEMBL30520555 0.79 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL16432061 0.79 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL424900 0.79 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL430323 0.77 HPGD (0.41) MEN1KMT2AALDH1A1
SCHEMBL22032036 0.76 CYP2D6 (0.33) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL607884 0.76 APLNR (0.40) CYP2D6APLNRAURKATTKAURKB
SCHEMBL2732228 0.76 PIK3CG (0.31)
SCHEMBL9723368 0.73 CYP2D6 (0.34) CYP2D6HRH1KCNH2CHRM1HRH2

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

Appears in 2352 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-04-09 US claimed
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
US-20260007144-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-01-08 US claimed
US-20250352444-A1 Antimicrobial mixtures SYMRISE AG (DE) 2025-11-20 US claimed
WO-2025226566-A1 INSTANT WHITE COFFEE STARBUCKS CORPORATION (US) 2025-10-30 WO claimed
WO-2025226563-A1 METHODS FOR PRODUCING INSTANT WHITE COFFEE STARBUCKS CORPORATION (US) 2025-10-30 WO claimed
US-20250324996-A1 Instant White Coffee STARBUCKS CORPORATION 2025-10-23 US claimed
US-20250324997-A1 Methods for Producing Instant White Coffee STARBUCKS CORPORATION 2025-10-23 US claimed
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
EP-4444108-B1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-09-10 EP claimed
EP-1006813-A1 USE OF 1-NONEN-3-ONE AS A FLAVOURING AGENT SOCIETE DES PRODUITS NESTLE S.A. (CH) 2000-06-14 EP claimed
US-6025002-A STEAMING COCOA BEANS TO PRODUCE DESHELLED COCOA KRAFT FOODS, INC. (US) 2000-02-15 US claimed
CN-1231581-A Use of 1-nonen-3-ones as flavoring agents NESTLE SA (CH) 1999-10-13 CN claimed
EP-0938851-A2 Beverage and process for preparing it Eckes-Granini GmbH & Co. Kommanditgesellschaft (DE) 1999-09-01 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1999037152-A1 PYRAZINES AS ATTRACTANTS FOR INSECTS OF ORDER COLEOPTERA ROTHAMSTED EXPERIMENTAL STATION (GB) 1999-07-29 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-1998005220-A1 USE OF 1-NONEN-3-ONE AS A FLAVOURING AGENT SOCIETE DES PRODUITS NESTLE S.A. (CH) 1998-02-12 WO claimed
EP-0806147-A1 Method of removing off-notes from cocoa products KRAFT FOODS, INC. (US) 1997-11-12 EP claimed