SCHEMBL4145071

SCHEMBL4145071

O=C(O)c1ccc2c([C@H]3CCCC[C@@H]3F)c3n(c2c1)CCN(CCN1CCOCC1)Cc1cc(OCc2ccccn2)ccc1-3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.39
PRKDC P78527 2/20 0.37
GPR84 Q9NQS5 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
EGFR P00533 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
MAPK14 Q16539 4/20 0.35
SMO Q99835 2/20 0.35
MET P08581 1/20 0.34
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4145072 1.00 P2RY12 (0.39) P2RY12PRKDCGPR84CNR1CNR2
SCHEMBL4144331 0.95 MET (0.38) P2RY12GPR84MAPK14SMOMET
SCHEMBL4144329 0.95 MET (0.38) P2RY12GPR84MAPK14SMOMET
SCHEMBL4146072 0.90 PRKCA (0.38) GPR84MAPK14SMOMETHRH3
SCHEMBL4146064 0.90 PRKCA (0.38) GPR84MAPK14SMOMETHRH3
SCHEMBL4148444 0.90 CNR1 (0.38) PRKDCGPR84CNR1CNR2EGFR
SCHEMBL4148451 0.90 CNR1 (0.38) PRKDCGPR84CNR1CNR2EGFR
SCHEMBL4149796 0.89 PRMT5 (0.39) PRKDCGPR84CNR1CNR2EGFR
SCHEMBL4145232 0.89 HRH3 (0.33) GPR84CNR2SMOMETHRH3
SCHEMBL4145227 0.89 HRH3 (0.33) GPR84CNR2SMOMETHRH3

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 P2RY12 3178/4885PRKDC 4427/4885GPR84 2204/4885

“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.