SCHEMBL2284380

SCHEMBL2284380

O=C(Nc1cccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@H](O)c5ccccc5)nc4c3)o2)c1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.45
HCRTR2 O43614 7/20 0.45
PRCP P42785 4/20 0.41
KCNH2 Q12809 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 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
SCHEMBL12374119 0.95 HCRTR1 (0.45) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL2280616 0.94 HCRTR1 (0.43) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL2280585 0.91 HCRTR1 (0.43) HCRTR1HCRTR2PRCPKCNH2TRPM8
SCHEMBL2281891 0.91 KCNH2 (0.44) HCRTR1HCRTR2PRCPKCNH2TRPM8
SCHEMBL2278919 0.90 PRCP (0.43) HCRTR1HCRTR2PRCPCPT1A
SCHEMBL12404478 0.89 KCNH2 (0.54) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL10202424 0.89 HCRTR1 (0.45) HCRTR1HCRTR2PRCPCPT2CPT1A
SCHEMBL12404479 0.89 HCRTR1 (0.43) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL15896174 0.89 HCRTR1 (0.43) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL2281370 0.88 KCNH2 (0.52) 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 12 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
EP-2398794-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-12-28 EP claimed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO 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 HCRTR1 4453/4885HCRTR2 4639/4885PRCP 190/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885PRCP 190/4885
US-20140205564-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.