SCHEMBL474619

SCHEMBL474619

O=C(Cc1ccccc1)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CTSC P53634 2/20 0.46
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.41
PAM P19021 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP2C9 P11712 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL28274418 0.99 HTR2C (0.46) HTR2CHTR2BCTSCELANEPOLB
SCHEMBL7582887 0.86 TDP1 (0.46) HTR2CHTR2BCTSCELANEALDH1A1
SCHEMBL7381636 0.86 CTSC (0.47) HTR2CHTR2BCTSCELANEPOLB
SCHEMBL11561585 0.82 CTSC (0.49) HTR2CHTR2BCTSCELANECYP1A2
SCHEMBL11509393 0.81 DPP4 (0.42) HTR2CHTR2BCTSCELANETSHR
SCHEMBL11547645 0.81 HTR2C (0.42) HTR2CHTR2BCTSCELANETSHR
SCHEMBL3447413 0.81 TSHR (0.51) HTR2CHTR2BCTSCELANEALDH1A1
SCHEMBL11421884 0.81 HTR2C (0.48) HTR2CHTR2BELANEALDH1A1DPP4
SCHEMBL489770 0.81 TSHR (0.51) HTR2CHTR2BCTSCELANEALDH1A1
Proline SCHEMBL6040134 0.81 HTR2C (0.48) HTR2CHTR2BCTSCALDH1A1TSHR

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-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
CN-109369494-A A kind of preparation method of N- phenylacetyl group-L-PROLINE 中北大学 2019-02-22 CN disclosed
CN-104788352-A Preparation methods of N-phenylacetyl-L-proline, and N-(1-(phenylacetyl)-L-prolyl)glycine ethyl ester SHANGHAI XUXIN CHEMICAL CO LTD 2015-07-22 CN disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2410844-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1893573-A1 INHIBITORS OF HCV REPLICATION Brystol-Myers Squibb Company (US) 2008-03-05 EP disclosed
WO-2006133326-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-14 WO disclosed
US-20060276511-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-12-07 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 (2 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-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 HTR2C 4424/4885HTR2B 4767/4885CTSC 127/4885
US-20060276511-A1 Inhibitors of HCV replication EIF2AK2, RTF2, GTF3C1 HTR2C 3666/4885HTR2B 4086/4885CTSC 590/4885

“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.