SCHEMBL2585460

SCHEMBL2585460

Cc1c(-c2ccc(-c3cnc(C4CCCN4C(=O)C[CH]Cc4ccccc4)[nH]3)cc2)ccc(-c2cnc([C@@H]3CCCN3C(=O)C[CH]Cc3ccccc3)[nH]2)c1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.60
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3345844 0.90 PRCP (0.64) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL2585704 0.89 PRCP (0.51) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL2586436 0.87 PRCP (0.51) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL2586341 0.87 PRCP (0.57) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL1745724 0.82 PRCP (0.57) PRCPOPRM1OPRD1CYP1A2CYP3A4
SCHEMBL12565050 0.81 PRCP (0.63) PRCPHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1747164 0.80 PRCP (0.55) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3343810 0.78 PRCP (0.54) PRCPOPRM1OPRD1CYP1A2CYP3A4
SCHEMBL1747409 0.78 PRCP (0.69) PRCPHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1746075 0.78 CYP3A4 (0.56) PRCPOPRM1OPRD1HCRTR1HCRTR2

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-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885OPRM1 2169/4885OPRD1 2943/4885

“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.