SCHEMBL895183

SCHEMBL895183

O=C(Nc1cccc(-c2cc3cc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)ccc3[nH]2)c1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.55
HCRTR2 O43614 5/20 0.55
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KDR P35968 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL474945 0.93 HCRTR1 (0.55) HCRTR1HCRTR2CRHBPCRHR2KDR
SCHEMBL10173437 0.93 HCRTR1 (0.55) HCRTR1HCRTR2CRHBPCRHR2KDR
SCHEMBL20966532 0.93 HCRTR1 (0.55) HCRTR1HCRTR2CRHBPCRHR2KDR
SCHEMBL10173557 0.93 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1USP2TSHR
SCHEMBL10224109 0.93 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1USP2TSHR
SCHEMBL10223631 0.93 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1USP2TSHR
SCHEMBL894834 0.93 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1USP2TSHR
SCHEMBL16188355 0.90 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1USP2TSHR
SCHEMBL16309223 0.89 HCRTR1 (0.49) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL17044979 0.89 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
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
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 (8 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HCRTR1 4044/4885HCRTR2 4504/4885CRHBP 3675/4885

“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.