SCHEMBL22434745

SCHEMBL22434745

CCc1cccc2c1cc(C)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NQO2 P16083 1/20 0.41
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR3 P46089 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL20505366 0.78 KDM4E (0.41) NPEPPSKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL24246191 0.78 KDM4E (0.35) NPEPPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13548554 0.76 ALKBH5 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL19557282 0.76 NPEPPS (0.42) NPEPPSKDM4ENQO2HSD17B10ALDH1A1
SCHEMBL23095471 0.74 NPEPPS (0.50) NPEPPSKDM4ENQO2HSD17B10GPR3
SCHEMBL18000262 0.73 GPR3 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL30622575 0.73 GPR3 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17680605 0.73 GPR3 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18000203 0.73 GPR3 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL1355293 0.73 DHFR (0.45) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 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-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 NPEPPS 4104/4885CYP1A2 104/4885CYP3A4 154/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NPEPPS 4104/4885CYP1A2 104/4885CYP3A4 154/4885

“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.