SCHEMBL474918

SCHEMBL474918

NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.57
ACE P12821 2/20 0.56
SPHK2 Q9NRA0 1/20 0.53
SPHK1 Q9NYA1 1/20 0.53
MC4R P32245 2/20 0.51
MC3R P41968 2/20 0.51
MC1R Q01726 2/20 0.51
HTR1A P08908 4/20 0.49
HTR7 P34969 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2177077 1.00 DPP4 (0.57) DPP4ACESPHK2SPHK1MC4R
SCHEMBL474618 0.88 ACE (0.60) ACEMC4RMC3RMC1RALDH1A1
SCHEMBL474742 0.88 ACE (0.60) ACEMC4RMC3RMC1RALDH1A1
SCHEMBL28650436 0.87 ACE (0.58) ACEMC4RMC3RMC1RALDH1A1
SCHEMBL30874862 0.86 CYP19A1 (0.47) DPP4ACEHTR1AHTR7
SCHEMBL10173178 0.85 ALDH1A1 (0.52) ACEMC4RMC3RMC1RALDH1A1
SCHEMBL18901775 0.85 MC4R (0.51) ACEMC4RMC3RMC1RALDH1A1
SCHEMBL10222752 0.85 ACE (0.54) DPP4ACEMC4RMC3RMC1R
SCHEMBL30874798 0.84 VNN1 (0.62) DPP4ACEALDH1A1KDM4EPOLB
SCHEMBL13570448 0.84 POLB (0.58) DPP4ACESPHK2SPHK1HTR1A

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-2410844-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION Merck Sharp & Dohme Corp. (US) 2012-02-01 EP claimed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
WO-2022043465-A1 INHIBITORS OF NO PRODUCTION MAX DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-03-03 WO 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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
EP-0019411-B1 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP disclosed
EP-0019411-A1 1-Phenyl-2-aminoethanol derivatives, processes for their manufacture and pharmaceutical compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 EP 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 DPP4 2186/4885ACE 640/4885SPHK2 4107/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 DPP4 726/4885ACE 28/4885SPHK2 2297/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 DPP4 2186/4885ACE 640/4885SPHK2 4107/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 DPP4 2186/4885ACE 640/4885SPHK2 4107/4885

“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.