SCHEMBL4314841

SCHEMBL4314841

Cc1cccc(CCCO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
HSD17B3 P37058 1/20 0.40
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.38
NOS1 P29475 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TGFBR1 P36897 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL20099859 0.94 KCNH2 (0.50) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL20730272 0.92 KCNH2 (0.53) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL30392101 0.88 SMN1; SMN2 (0.45) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL1632272 0.88 SMN1; SMN2 (0.45) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL4750814 0.83 PPARG (0.41) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL24916774 0.83 CCR1 (0.52) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL30201993 0.83 CCR1 (0.52) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL681574 0.82 KCNH2 (0.64) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL10144469 0.81 KCNH2 (0.54) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL6194712 0.80 KCNH2 (0.47) KCNH2SMN1; SMN2CCR1CCR8HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US 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
US-5518860-A IMPROVED ADHESION TO SILICON OXIDE AND NITRIDE SUBSTRATES TOKYO OHKA KOGYO CO., LTD. (JP) 1996-05-21 US claimed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
EP-2788332-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN, INC. (US) 2014-10-15 EP disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
EP-2576510-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2013-04-10 EP disclosed
WO-2011153509-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-08 WO disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO disclosed
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
US-5518860-A IMPROVED ADHESION TO SILICON OXIDE AND NITRIDE SUBSTRATES TOKYO OHKA KOGYO CO., LTD. (JP) 1996-05-21 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
US-5292757-A 1,4-dihydropyridine compounds useful as reverse resistance agents AJINOMOTO COMPANY, INC. (JP) 1994-03-08 US disclosed
US-4457934-A ESTER DERIVATIVE OF PYRIDINE STAUFFER CHEMICAL COMPANY (US) 1984-07-03 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 (1 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-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B KCNH2 28/4885SMN1; SMN2 448/4885CCR1 3157/4885

“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.