SCHEMBL690370

SCHEMBL690370

Cc1cc(-c2cnc([C@@H]3CCCN3C(=O)Cc3cccnc3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N(C)C(=O)O)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.52
KCNH2 Q12809 2/20 0.51
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL1747036 0.93 KCNH2 (0.58) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL15673591 0.90 KCNH2 (0.56) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL2961425 0.90 PRCP (0.54) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL690862 0.89 KCNH2 (0.53) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL690591 0.89 KCNH2 (0.53) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL690905 0.89 KCNH2 (0.53) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL690483 0.89 KCNH2 (0.51) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL690285 0.88 KCNH2 (0.54) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL2591062 0.87 KCNH2 (0.59) PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL15673813 0.87 KCNH2 (0.59) PRCPKCNH2OPRM1OPRD1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP claimed
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
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 190/4885KCNH2 4523/4885OPRM1 2169/4885

“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.