SCHEMBL12374152

SCHEMBL12374152

O=C(Nc1cccc(-c2cnc(-c3ccc4nc([C@@H]5CCCN5C(=O)CC5CC5)[nH]c4c3)o2)c1)[C@@H]1CCCN1C(=O)CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.48
HCRTR2 O43614 13/20 0.48
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
CPT2 P23786 2/20 0.37
CPT1A P50416 2/20 0.37
MLLT1 Q03111 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
SCHEMBL12374150 1.00 HCRTR1 (0.48) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL3047072 0.94 HCRTR1 (0.48) HCRTR1HCRTR2CPT2CPT1A
SCHEMBL3044486 0.94 HCRTR1 (0.48) HCRTR1HCRTR2CPT2CPT1A
SCHEMBL13258526 0.91 HCRTR1 (0.46) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL19488555 0.89 HCRTR1 (0.43) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL2277410 0.86 HCRTR1 (0.51) HCRTR1HCRTR2MAPTCPT2CPT1A
SCHEMBL2277418 0.86 HCRTR1 (0.51) HCRTR1HCRTR2MAPTCPT2CPT1A
SCHEMBL10202424 0.85 HCRTR1 (0.45) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL10201223 0.85 HCRTR1 (0.49) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL12374119 0.85 HCRTR1 (0.45) HCRTR1HCRTR2MAPTPOLBLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 4639/4885MAPT 4065/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885MAPT 4065/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885MAPT 4065/4885

“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.