SCHEMBL3512798

SCHEMBL3512798

Cc1ccc(CCCCC(=O)c2ccc(CCC(C)(N)CO)n2C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.55
S1PR3 Q99500 5/20 0.55
S1PR5 Q9H228 2/20 0.55
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ACHE P22303 1/20 0.30
SGMS1 Q86VZ5 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
TNNC1 P63316 5/20 0.30
SGPL1 O95470 1/20 0.30
S1PR4 O95977 1/20 0.30
GPR183 P32249 1/20 0.30
CERS2 Q96G23 1/20 0.30

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
SCHEMBL3508312 1.00 S1PR1 (0.55) S1PR1S1PR3S1PR5PPARGPPARD
SCHEMBL1453957 0.97 S1PR1 (0.59) S1PR1S1PR3S1PR5PPARGPPARD
SCHEMBL387253 0.97 S1PR1 (0.59) S1PR1S1PR3S1PR5PPARGPPARD
Hydrochloric Acid SCHEMBL1453757 0.96 S1PR1 (0.58) S1PR1S1PR3S1PR5PPARGPPARD
SCHEMBL13165851 0.92 S1PR1 (0.53) S1PR1S1PR3S1PR5PPARGPPARD
SCHEMBL3509776 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL3512608 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL3508875 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5PPARGPPARA
SCHEMBL3513396 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5PPARGPPARA
SCHEMBL3511310 0.89 S1PR1 (0.69) S1PR1S1PR3S1PR5TNNC1SGPL1

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
EP-1915994-B1 CYCLIC AMINE DERIVATIVES IN COMBINATION WITH PPAR REGULATORS DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP claimed
EP-1782804-B1 MEDICINAL COMPOSITION, COMPRISING A HMG-CoA REDUCTASE INHIBITOR AND AN AMINO ALCOHOL DERIVATIVE, AS IMMUNOSUPPRESSANT DAIICHI SANKYO CO LTD (JP) 2011-12-28 EP claimed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US claimed
EP-1915994-A1 CYCLIC AMINE DERIVATIVE CONTAINING PPAR REGULATOR Sankyo Company, Limited (JP) 2008-04-30 EP claimed
US-20070149597-A1 Medicinal composition as immunosuppressant SANKYO COMPANY, LIMITED (JP) 2007-06-28 US claimed
EP-1782804-A1 MEDICINAL COMPOSITION AS IMMUNOSUPPRESSANT Sankyo Company, Limited (JP) 2007-05-09 EP claimed
EP-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP disclosed
EP-1915994-B1 CYCLIC AMINE DERIVATIVES IN COMBINATION WITH PPAR REGULATORS DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1782804-B1 MEDICINAL COMPOSITION, COMPRISING A HMG-CoA REDUCTASE INHIBITOR AND AN AMINO ALCOHOL DERIVATIVE, AS IMMUNOSUPPRESSANT DAIICHI SANKYO CO LTD (JP) 2011-12-28 EP disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US disclosed
EP-1915994-A1 CYCLIC AMINE DERIVATIVE CONTAINING PPAR REGULATOR Sankyo Company, Limited (JP) 2008-04-30 EP disclosed
US-20070149597-A1 Medicinal composition as immunosuppressant SANKYO COMPANY, LIMITED (JP) 2007-06-28 US disclosed
EP-1782804-A1 MEDICINAL COMPOSITION AS IMMUNOSUPPRESSANT Sankyo Company, Limited (JP) 2007-05-09 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-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator PPARG, PPARA, PPARD S1PR1 282/4885S1PR3 281/4885S1PR5 725/4885
US-20070149597-A1 Medicinal composition as immunosuppressant HMGCR, SHMT1, CYP11B1 S1PR1 361/4885S1PR3 550/4885S1PR5 1010/4885

“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.