SCHEMBL4145232

SCHEMBL4145232

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
ALOX5AP P20292 3/20 0.33
ESR1 P03372 1/20 0.33
STS P08842 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
PPARG P37231 1/20 0.32
MCHR1 Q99705 1/20 0.32
MET P08581 1/20 0.31
CNR2 P34972 1/20 0.31
GHSR Q92847 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMO Q99835 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL4145227 1.00 HRH3 (0.33) HRH3PRKCAMMP12ALOX5APESR1
SCHEMBL4146064 0.94 PRKCA (0.38) HRH3PRKCAMMP12ALOX5APGPR84
SCHEMBL4146072 0.94 PRKCA (0.38) HRH3PRKCAMMP12ALOX5APGPR84
SCHEMBL4149818 0.92 GHSR (0.38) PRKCAMMP12CNR2GHSRKDM4E
SCHEMBL4149821 0.92 GHSR (0.38) PRKCAMMP12CNR2GHSRKDM4E
SCHEMBL4144331 0.91 MET (0.38) HRH3ALOX5APGPR84MCHR1MET
SCHEMBL4144329 0.91 MET (0.38) HRH3ALOX5APGPR84MCHR1MET
SCHEMBL4151957 0.91 PRMT5 (0.33) HRH3PRKCAMMP12GPR84GHSR
SCHEMBL4151954 0.91 PRMT5 (0.33) HRH3PRKCAMMP12GPR84GHSR
SCHEMBL4157359 0.90 MTNR1A (0.35) PRKCAMMP12CNR2KDM4EALDH1A1

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 HRH3 811/4885PRKCA 4320/4885MMP12 3563/4885

“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.