SCHEMBL1361559

SCHEMBL1361559

[CH2]CN1CCC(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
NOTUM Q6P988 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4899707 0.88 ALDH1A1 (0.50) SMN1; SMN2CYP1A2ALDH1A1LMNA
SCHEMBL4895839 0.87 LMNA (0.45) S1PR5SMN1; SMN2PLGPLATLMNA
SCHEMBL1361014 0.84 SMN1; SMN2 (0.43) S1PR5S1PR4S1PR1S1PR3SMN1; SMN2
SCHEMBL1362777 0.82
SCHEMBL5058804 0.82 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNA
SCHEMBL3264345 0.81 CYP1A2 (0.46) S1PR5S1PR4S1PR1S1PR3NOTUM
SCHEMBL2707889 0.79 S1PR5 (0.43) S1PR5S1PR4S1PR1S1PR3NOTUM
SCHEMBL13740434 0.79 SMN1; SMN2 (0.57) S1PR5S1PR4S1PR1S1PR3NOTUM
SCHEMBL13739335 0.79 SMN1; SMN2 (0.57) S1PR5S1PR4S1PR1S1PR3NOTUM
SCHEMBL934458 0.79 SMN1; SMN2 (0.57) S1PR5S1PR4S1PR1S1PR3NOTUM

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067419-B2 N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-29 US claimed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US claimed
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP claimed
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US claimed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP claimed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US claimed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 US claimed
US-7723378-B2 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-25 US claimed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US claimed
US-7605269-B2 Thiophene derivatives as Sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-20 US claimed
EP-1940814-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2008-07-09 EP claimed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP claimed
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
EP-1863475-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
WO-2007046075-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2007-04-26 WO claimed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 WO claimed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed

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-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS NFATC1, ICOS, TPMT S1PR5 2119/4885S1PR4 2423/4885S1PR1 2309/4885
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 S1PR5 1051/4885S1PR4 1282/4885S1PR1 1258/4885

“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.