SCHEMBL1747276

SCHEMBL1747276

Cc1cc(-c2cnc([C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N(C)C)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N(C)C(=O)O)[nH]2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
PRCP P42785 9/20 0.48
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
OPRK1 P41145 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 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
SCHEMBL2585679 0.98 KCNH2 (0.56) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL690285 0.97 KCNH2 (0.54) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL15477514 0.96 KCNH2 (0.57) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL690873 0.96 KCNH2 (0.57) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL15673591 0.94 KCNH2 (0.56) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL1745278 0.93 KCNH2 (0.57) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL3341961 0.92 KCNH2 (0.55) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL1745546 0.91 KCNH2 (0.63) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL1745283 0.91 KCNH2 (0.63) KCNH2OPRM1OPRD1PRCPNR1I2
SCHEMBL691419 0.90 KCNH2 (0.53) KCNH2OPRM1OPRD1PRCPNR1I2

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 6 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
US-8642025-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 US disclosed
EP-2385048-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110252687-A1 Canting Vertical Fore Grip with Bipod GRIP POD SYSTEMS, LLC 2011-10-20 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 (2 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-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885OPRM1 2169/4885OPRD1 2943/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885OPRM1 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.