SCHEMBL3045654

SCHEMBL3045654

Cc1c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N(C)C)cccc1-c1ncc(-c2ccc3[nH]c([C@@H]4CCCN4C(=O)[C@@H](c4ccccc4)N(C)C)nc3c2)o1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.40
HCRTR2 O43614 7/20 0.40
PRCP P42785 4/20 0.38
KCNH2 Q12809 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
SCHEMBL12374115 0.95 HCRTR1 (0.40) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL14641534 0.90 HCRTR1 (0.40) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL3047872 0.90 KCNH2 (0.44) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL2278911 0.89 KCNH2 (0.42) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL3052697 0.89 PRCP (0.41) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL2280585 0.88 HCRTR1 (0.43) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL2282367 0.88 KCNH2 (0.47) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL3057210 0.88 PRCP (0.37) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL3047481 0.88 PRCP (0.37) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL7272497 0.87 HCRTR1 (0.41) HCRTR1HCRTR2PRCPKCNH2

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 5 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
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 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 (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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885PRCP 190/4885

“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.