SCHEMBL1745776

SCHEMBL1745776

CC(C)(C)[C@]1(c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6)[nH]5)c(F)c4)cc3F)[nH]2)CCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.34
HPGDS O60760 2/20 0.32
DGAT1 O75907 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
FASN P49327 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.30
KCNH2 Q12809 1/20 0.30
PARP1 P09874 4/20 0.30
PARP2 Q9UGN5 2/20 0.30

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
Acetic Acid SCHEMBL1746327 0.96 PRCP (0.35) PRCPHPGDS
SCHEMBL1745558 0.89 PRCP (0.37) PRCPHPGDSKCNH2
SCHEMBL15673755 0.89 PRCP (0.37) PRCPHPGDSKCNH2
SCHEMBL23247515 0.78 HCRTR1 (0.40) HCRTR1HCRTR2
Acetic Acid SCHEMBL1746999 0.78 PRCP (0.41) PRCPSCN10AKCNH2PARP1PARP2
SCHEMBL15673803 0.78 CYP3A4 (0.59) KCNH2
SCHEMBL12175132 0.78 KCNH2 (0.41) SCN10AKCNH2PARP1PARP2
SCHEMBL13635781 0.78 KCNH2 (0.41) SCN10AKCNH2PARP1PARP2
SCHEMBL4980258 0.77 PRCP (0.49) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL1747528 0.77 KCNH2 (0.47) PRCPKCNH2

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-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 (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 190/4885HPGDS 582/4885DGAT1 811/4885

“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.