SCHEMBL9911041

SCHEMBL9911041

CCc1cccc2c1CCC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.49
DRD2 P14416 2/20 0.49
KCNH2 Q12809 2/20 0.49
OPRK1 P41145 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
HTR2A P28223 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL17969095 0.86 NPC1 (0.47) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL5480514 0.84 DRD2 (0.66) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL20627367 0.83 HTR1A (0.43) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL19386411 0.83 HTR1A (0.45) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL427050 0.81 NPC1 (0.43) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL426989 0.80 NPC1 (0.42) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL12020822 0.79 DRD2 (0.46) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL27060153 0.78 DRD2 (0.46) HTR1ADRD2KCNH2OPRK1KDM4E
SCHEMBL1764170 0.78 NPC1 (0.50) HTR1AOPRK1NPC1MAPK13MAPK12
SCHEMBL29754448 0.78 NPC1 (0.50) HTR1AOPRK1NPC1MAPK13MAPK12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
WO-2016144702-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-09-15 WO disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 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 (6 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET HTR1A 3988/4885DRD2 4383/4885KCNH2 4715/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTR1A 3988/4885DRD2 4383/4885KCNH2 4715/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HTR1A 3934/4885DRD2 4271/4885KCNH2 4508/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HTR1A 3350/4885DRD2 3855/4885KCNH2 4379/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HTR1A 3443/4885DRD2 3988/4885KCNH2 4203/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTR1A 3988/4885DRD2 4383/4885KCNH2 4715/4885

“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.