SCHEMBL12374119

SCHEMBL12374119

O=C(Nc1cccc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@H](O)c5ccccc5)[nH]c4c3)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
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
USP30 Q70CQ3 1/20 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
SCHEMBL2284380 0.95 HCRTR1 (0.45) HCRTR1HCRTR2PRCPKCNH2
SCHEMBL10202424 0.94 HCRTR1 (0.45) HCRTR1HCRTR2PRCPMAPTPOLB
SCHEMBL15896174 0.94 HCRTR1 (0.43) HCRTR1HCRTR2PRCPMAPTPOLB
SCHEMBL12404479 0.94 HCRTR1 (0.43) HCRTR1HCRTR2PRCPMAPTPOLB
SCHEMBL12374125 0.91 HCRTR1 (0.43) HCRTR1HCRTR2PRCPMAPTPOLB
SCHEMBL19488656 0.91 KCNH2 (0.44) HCRTR1HCRTR2PRCPMAPTPOLB
SCHEMBL12374127 0.91 KCNH2 (0.44) HCRTR1HCRTR2PRCPMAPTPOLB
SCHEMBL15895359 0.90 PRCP (0.43) HCRTR1HCRTR2PRCP
SCHEMBL12406168 0.90 PRCP (0.43) HCRTR1HCRTR2PRCP
SCHEMBL2280616 0.89 HCRTR1 (0.43) 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 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 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-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
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US 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
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.