SCHEMBL10278973

SCHEMBL10278973

CC1(C)OB(c2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@H](N)c4ccccc4)[nH]3)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
KCNH2 Q12809 2/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
OPRK1 P41145 1/20 0.49
PRCP P42785 8/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL15058828 0.89 KCNH2 (0.55) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL13070492 0.88 KCNH2 (0.51) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL12160175 0.87 CYP3A4 (0.59) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL14216848 0.87 CYP3A4 (0.59) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL16499294 0.86 PRCP (0.50) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL749667 0.86 PRCP (0.50) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL203606 0.86 CYP3A4 (0.59) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL15773821 0.86 CYP3A4 (0.59) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL14985707 0.86 CYP3A4 (0.59) OPRM1OPRD1KCNH2CYP3A4CYP2C9
SCHEMBL15368457 0.85 CYP3A4 (0.56) OPRM1OPRD1KCNH2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed

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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 OPRM1 2511/4885OPRD1 2377/4885KCNH2 4228/4885

“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.