SCHEMBL1745558

SCHEMBL1745558

CC(C)(C)[C@]1(c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6)[nH]5)cc4)cc3)[nH]2)CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.37
HPGDS O60760 5/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
KCNH2 Q12809 2/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
OPRK1 P41145 1/20 0.35
SSTR3 P32745 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN3A Q9NY46 2/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL15673755 1.00 PRCP (0.37) PRCPHPGDSCYP3A4CYP2C9KCNH2
Acetic Acid SCHEMBL1746327 0.90 PRCP (0.35) PRCPHPGDSCYP3A4CYP2C9SSTR3
SCHEMBL1745776 0.89 PRCP (0.34) PRCPHPGDSKCNH2
SCHEMBL15848316 0.82 SSTR3 (0.39) PRCPHPGDSSSTR3
SCHEMBL15848318 0.82 SSTR3 (0.39) PRCPHPGDSSSTR3
SCHEMBL1746987 0.80 PRCP (0.39) PRCPHPGDSSSTR3
SCHEMBL933804 0.78 SSTR3 (0.36) PRCPHPGDSSSTR3
SCHEMBL15673880 0.78 CYP3A4 (0.51) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL15673879 0.78 CYP3A4 (0.51) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1908290 0.76 LIPG (0.35) SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 US disclosed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP disclosed
US-20130280211-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-24 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
US-7745636-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 US disclosed
US-7659270-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080044379-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 (4 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-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885CYP3A4 1107/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885CYP3A4 1107/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885CYP3A4 1107/4885
US-20130280211-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885CYP3A4 1107/4885

“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.