SCHEMBL3841383

SCHEMBL3841383

COc1cc(C(N)=O)ccc1OCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
MCHR1 Q99705 6/20 0.59
HPGD P15428 2/20 0.57
HSD17B10 Q99714 1/20 0.57
LTA4H P09960 1/20 0.56
DRD3 P35462 2/20 0.55
CACNA1F O60840 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ASF1A Q9Y294 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DRD2 P14416 1/20 0.53
BCHE P06276 1/20 0.53

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
SCHEMBL4267510 0.99 MCHR1 (0.60) MAPK1MCHR1HPGDHSD17B10LTA4H
SCHEMBL6200574 0.96 MEN1 (0.55) MAPK1MCHR1HPGDHSD17B10LTA4H
SCHEMBL4023275 0.95 MEN1 (0.57) MAPK1MCHR1DRD3CACNA1FCACNA1D
SCHEMBL4270714 0.93 MAPK1 (0.58) MAPK1MCHR1HPGDHSD17B10POLB
SCHEMBL4267324 0.89 CYP2D6 (0.60) MAPK1HPGDDRD3KDM4ELMNA
Hydrochloric Acid SCHEMBL6170863 0.87 MCHR1 (0.62) MCHR1HPGDHSD17B10LTA4HKDM4E
SCHEMBL6174157 0.87 MCHR1 (0.62) MCHR1HPGDHSD17B10LTA4HCACNA1F
SCHEMBL4022248 0.84 HTR2C (0.54) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22386750 0.84 MCHR1 (0.58) MCHR1HPGDHSD17B10LTA4HDRD3
SCHEMBL6306251 0.83 LTA4H (0.55) MCHR1LTA4HDRD3KDM4ESMN1; SMN2

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
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 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 (7 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 MAPK1 2719/4885MCHR1 433/4885HPGD 2065/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS MAPK1 4120/4885MCHR1 4695/4885HPGD 1933/4885
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR MAPK1 1964/4885MCHR1 133/4885HPGD 1812/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAPK1 894/4885MCHR1 1/4885HPGD 3711/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAPK1 791/4885MCHR1 1/4885HPGD 2563/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAPK1 906/4885MCHR1 1/4885HPGD 3762/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 MAPK1 2681/4885MCHR1 3/4885HPGD 1912/4885

“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.