SCHEMBL2582765

SCHEMBL2582765

O=C(O)N1CCCC1c1ncc(-c2cnc(Cl)nc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.53
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46

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
SCHEMBL932730 1.00 PRCP (0.53) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL15848419 0.87 PRCP (0.68) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL15848417 0.87 PRCP (0.68) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL3343952 0.86 PRCP (0.61) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL6128238 0.86 PRCP (0.70) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL16498829 0.85 PRCP (0.59) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL690268 0.84 HPGDS (0.54) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL690267 0.84 HPGDS (0.54) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL933102 0.83 PRCP (0.52) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL15848588 0.83 PRCP (0.56) PRCPNR1I2ABCB11CYP3A4CYP2C9

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 US disclosed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 US disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
CN-101528232-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-12 CN disclosed
EP-2049116-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-2049114-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (9 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885NR1I2 1341/4885ABCB11 450/4885

“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.