SCHEMBL10173644

SCHEMBL10173644

O=C(Nc1ccc(-c2cc3cc(Br)ccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.50
HCRTR2 O43614 3/20 0.50
ALDH1A1 P00352 4/20 0.45
CYP19A1 P11511 1/20 0.44
SLC2A1 P11166 1/20 0.44
ITGB1 P05556 4/20 0.43
ITGA4 P13612 4/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10173557 0.93 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL17613191 0.90 HCRTR1 (0.56) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL17613192 0.90 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL17044953 0.89 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL17044979 0.89 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL16309223 0.89 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL22352068 0.88 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL16188355 0.88 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL895907 0.88 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1SLC2A1ITGB1
SCHEMBL894834 0.87 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
EP-2410844-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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 (4 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885ALDH1A1 2400/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885ALDH1A1 2400/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885ALDH1A1 2400/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885ALDH1A1 2400/4885

“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.