SCHEMBL3510090

SCHEMBL3510090

C[C@](N)(CO)CCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.55
S1PR4 O95977 5/20 0.55
S1PR3 Q99500 5/20 0.55
S1PR5 Q9H228 4/20 0.55
FFAR1 O14842 2/20 0.54
PPARG P37231 4/20 0.51
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
PPARA Q07869 2/20 0.48

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
SCHEMBL3509446 1.00 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL14539807 0.96 S1PR1 (0.57) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL3509437 0.95 S1PR1 (0.59) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL3511037 0.95 S1PR1 (0.59) S1PR1S1PR4S1PR3S1PR5FFAR1
Hydrochloric Acid SCHEMBL7621155 0.95 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL3508183 0.93 S1PR1 (0.52) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL3507822 0.93 S1PR1 (0.52) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL1912503 0.93 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5FFAR1
SCHEMBL6036008 0.93 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5FFAR1
Hydrochloric Acid SCHEMBL688656 0.92 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5FFAR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4012823-B2 2007-11-21 JP claimed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP claimed
JP-2004531501-A 2004-10-14 JP claimed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 US claimed
EP-1377593-A2 2-AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2004-01-07 EP claimed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 WO claimed
EP-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP 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
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US 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-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 US disclosed
EP-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO 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 282/4885S1PR4 739/4885S1PR3 281/4885
US-20040147490-A1 2-Amino-propanol derivatives CD4, HLA-DRB1, CCR1 S1PR1 525/4885S1PR4 1260/4885S1PR3 493/4885

“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.