SCHEMBL3781488

SCHEMBL3781488

O=C(O)N1CCCC1c1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.39
HCRTR2 O43614 10/20 0.39
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SCD5 Q86SK9 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCD O00767 1/20 0.35
CYP3A4 P08684 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL27855003 1.00 HCRTR1 (0.39) HCRTR1HCRTR2CCNCCDK8SCD5
SCHEMBL2454437 0.99 HCRTR1 (0.38) HCRTR1HCRTR2CCNCCDK8SCD5
SCHEMBL3448741 0.96 TP53 (0.39) HCRTR1HCRTR2MEN1NPC1RAB9A
SCHEMBL2363127 0.91 HCRTR1 (0.41) HCRTR1HCRTR2CCNCCDK8SCD5
SCHEMBL13223831 0.89 HCRTR1 (0.38) HCRTR1HCRTR2CCNCCDK8SCD5
SCHEMBL18815729 0.89 CPT1A (0.40) HCRTR1HCRTR2SCDCYP3A4TRPV1
SCHEMBL16499066 0.87 GRM5 (0.36) HCRTR1HCRTR2CYP3A4
SCHEMBL6167855 0.86 CPT1A (0.43)
SCHEMBL3449425 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL932973 0.85 PRCP (0.36) HCRTR1HCRTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
EP-3019196-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-2398474-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
WO-2010096777-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-08-26 WO 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HCRTR1 4745/4885HCRTR2 4812/4885CCNC 843/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HCRTR1 4745/4885HCRTR2 4812/4885CCNC 843/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HCRTR1 4732/4885HCRTR2 4800/4885CCNC 1048/4885

“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.