SCHEMBL4139150

SCHEMBL4139150

COc1ccc2c(c1)CN(CCN1CCOCC1)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
CNR1 P21554 5/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL4139156 1.00 CNR2 (0.39) CNR2CNR1TSHRALDH1A1TP53
SCHEMBL4153077 0.95 ESR1 (0.35) CNR2CNR1ALDH1A1CYP3A4
SCHEMBL4153074 0.95 ESR1 (0.35) CNR2CNR1ALDH1A1CYP3A4
SCHEMBL4143066 0.93 MTNR1A (0.37) CNR2CNR1TSHRALDH1A1OPRM1
SCHEMBL4143069 0.93 MTNR1A (0.37) CNR2CNR1TSHRALDH1A1OPRM1
SCHEMBL4153609 0.92 MAPT (0.39) CNR2CNR1ALDH1A1TP53OPRM1
SCHEMBL4153607 0.92 MAPT (0.39) CNR2CNR1ALDH1A1TP53OPRM1
SCHEMBL4139869 0.91 OPRM1 (0.36) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL4139872 0.91 OPRM1 (0.36) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL4152682 0.90 PRKCA (0.39) CYP3A4

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 CNR2 248/4885CNR1 127/4885TSHR 657/4885

“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.