SCHEMBL6008141

SCHEMBL6008141

c1ccc2cc(CNCc3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 5/20 0.71
MC4R P32245 3/20 0.71
MAPK1 P28482 1/20 0.70
MC3R P41968 3/20 0.67
ROCK1 Q13464 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2A6 P11509 1/20 0.58
MC1R Q01726 2/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
IDO1 P14902 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
NPY1R P25929 1/20 0.51
NPY5R Q15761 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL4017226 0.94 MC5R (0.65) MC5RMC4RMAPK1MC3RROCK1
Hydrochloric Acid SCHEMBL31120720 0.92 MC5R (0.62) MC5RMC4RMAPK1MC3RROCK1
Hydrochloric Acid SCHEMBL31120721 0.92 MC5R (0.62) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL5703530 0.88 MC5R (0.64) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL5703579 0.88 MC5R (0.59) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL7250915 0.88 MC5R (0.69) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL27502280 0.88 MC5R (0.59) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL8089377 0.87 MC5R (0.62) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL31414285 0.87 MC5R (0.62) MC5RMC4RMAPK1MC3RROCK1
SCHEMBL7443349 0.87 MC5R (0.62) MC5RMC4RMAPK1MC3RROCK1

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-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 US disclosed
US-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 WO disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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 (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-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS ICMT, OTC, PNPO MC5R 1226/4885MC4R 2424/4885MAPK1 4105/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 MC5R 62/4885MC4R 32/4885MAPK1 481/4885

“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.