SCHEMBL3418499

SCHEMBL3418499

CC[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](CC)Nc5ncccn5)n4)cc3)cc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.43
CYP3A4 P08684 4/20 0.42
HCRTR2 O43614 3/20 0.40
CYP2C9 P11712 3/20 0.40
KCNH2 Q12809 2/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.37
PIK3CD O00329 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL3422002 0.90 CYP3A4 (0.44) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL3423101 0.88 CYP3A4 (0.47) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL4522648 0.86 CYP3A4 (0.52) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL3423234 0.85 CYP3A4 (0.41) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL3423230 0.85 CYP3A4 (0.41) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL3424377 0.83 CYP3A4 (0.49) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL13635891 0.83 CYP3A4 (0.58) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL12567683 0.82 CYP3A4 (0.48) PRCPCYP3A4HCRTR2CYP2C9KCNH2
SCHEMBL3418496 0.79 HCRTR2 (0.35) CYP3A4HCRTR2
SCHEMBL23247320 0.78 OPRD1 (0.46) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US claimed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US claimed
EP-2242752-B1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 EP claimed
EP-2242752-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 EP claimed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO claimed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US claimed
EP-2242752-B1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 EP 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885HCRTR2 4639/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885HCRTR2 4639/4885

“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.