SCHEMBL2281891

SCHEMBL2281891

CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(C)=O)c5ccccc5)nc4c3)o2)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HCRTR1 O43613 4/20 0.43
HCRTR2 O43614 4/20 0.43
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 2/20 0.42
PRCP P42785 4/20 0.41
CPT2 P23786 2/20 0.36
CPT1A P50416 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL19488656 0.95 KCNH2 (0.44) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL12374127 0.95 KCNH2 (0.44) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL2284214 0.94 KCNH2 (0.49) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL12404478 0.94 KCNH2 (0.54) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL2281370 0.92 KCNH2 (0.52) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL2284380 0.91 HCRTR1 (0.45) KCNH2HCRTR1HCRTR2PRCPCPT2
SCHEMBL10202423 0.90 HCRTR1 (0.43) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL2280585 0.89 HCRTR1 (0.43) KCNH2HCRTR1HCRTR2PRCPTRPM8
SCHEMBL12406104 0.89 KCNH2 (0.49) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL15896296 0.89 KCNH2 (0.49) KCNH2HCRTR1HCRTR2CYP3A4CYP2C9

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-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US claimed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP claimed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US claimed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885HCRTR1 4453/4885HCRTR2 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.