SCHEMBL4144331

SCHEMBL4144331

O=C(O)c1ccc2c([C@@H]3CCCC[C@H]3F)c3n(c2c1)CCN(CCN1CCCC1)Cc1cc(OCc2ccccn2)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
GPR84 Q9NQS5 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ALOX5AP P20292 3/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMO Q99835 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PARP10 Q53GL7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4144329 1.00 MET (0.38) METGPR84P2RY12ALOX5APMCHR1
SCHEMBL4145072 0.95 P2RY12 (0.39) METGPR84P2RY12MAPK14SMO
SCHEMBL4145071 0.95 P2RY12 (0.39) METGPR84P2RY12MAPK14SMO
SCHEMBL4146064 0.92 PRKCA (0.38) METGPR84ALOX5APMCHR1MAPK14
SCHEMBL4146072 0.92 PRKCA (0.38) METGPR84ALOX5APMCHR1MAPK14
SCHEMBL4143500 0.92 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1
SCHEMBL4143504 0.92 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1
SCHEMBL4145227 0.91 HRH3 (0.33) METGPR84ALOX5APMCHR1SMO
SCHEMBL4145232 0.91 HRH3 (0.33) METGPR84ALOX5APMCHR1SMO
SCHEMBL4144460 0.90 PRMT5 (0.35) GPR84HRH3ALDH1A1KDM4EL3MBTL1

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 MET 2461/4885GPR84 2204/4885P2RY12 3178/4885

“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.