SCHEMBL4146072

SCHEMBL4146072

CN(C)CCN1CCn2c(c([C@@H]3CCCC[C@H]3F)c3ccc(C(=O)O)cc32)-c2ccc(OCc3ccccn3)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
ALOX5AP P20292 5/20 0.33
GPR84 Q9NQS5 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32
MCHR1 Q99705 1/20 0.32
MET P08581 1/20 0.32
GLP1R P43220 1/20 0.32
MAPK14 Q16539 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL4146064 1.00 PRKCA (0.38) PRKCAMMP12ALOX5APGPR84HRH3
SCHEMBL4145232 0.94 HRH3 (0.33) PRKCAMMP12ALOX5APGPR84HRH3
SCHEMBL4145227 0.94 HRH3 (0.33) PRKCAMMP12ALOX5APGPR84HRH3
SCHEMBL4144329 0.92 MET (0.38) ALOX5APGPR84HRH3MCHR1MET
SCHEMBL4144331 0.92 MET (0.38) ALOX5APGPR84HRH3MCHR1MET
SCHEMBL4151555 0.92 PRKCA (0.39) PRKCAMMP12SLC6A5
SCHEMBL4151551 0.92 PRKCA (0.39) PRKCAMMP12SLC6A5
SCHEMBL4156439 0.90 SLC6A5 (0.38) PRKCAMMP12GPR84SLC6A5
SCHEMBL4145072 0.90 P2RY12 (0.39) GPR84HRH3METMAPK14SMO
SCHEMBL4145071 0.90 P2RY12 (0.39) GPR84HRH3METMAPK14SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 4320/4885MMP12 3563/4885ALOX5AP 1489/4885

“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.