SCHEMBL2586436

SCHEMBL2586436

Cc1c(-c2ccc(-c3cnc(C4CCCN4C(=O)C[CH]Cc4cccs4)[nH]3)cc2)ccc(-c2cnc([C@@H]3CCCN3C(=O)C[CH]Cc3cccs3)[nH]2)c1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.51
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
CYP1A2 P05177 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41

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
SCHEMBL3344430 0.91 PRCP (0.54) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2585460 0.87 PRCP (0.60) PRCPCYP3A4CYP2C9KCNH2OPRM1
SCHEMBL2585704 0.86 PRCP (0.51) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2586341 0.84 PRCP (0.57) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1747531 0.83 PRCP (0.50) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3345844 0.77 PRCP (0.64) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3343810 0.76 PRCP (0.54) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1747164 0.76 PRCP (0.55) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL13748256 0.75 PRCP (0.59) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3344485 0.74 PRCP (0.62) PRCPCYP3A4CYP2C9NR1I2ABCB11

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 190/4885CYP3A4 1107/4885CYP2C9 2585/4885

“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.