SCHEMBL1360596

SCHEMBL1360596

O=C(O)C1CCCN1CCCO

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
ACE P12821 5/20 0.40
CYP2C19 P33261 2/20 0.40
NR1I2 O75469 1/20 0.40
OPRD1 P41143 2/20 0.39
REN P00797 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9105160 1.00 HTT (0.41) HTTCYP1A2ACECYP2C19NR1I2
SCHEMBL14012825 0.95 SMN1; SMN2 (0.43) HTTCYP1A2CYP2C19NR1I2LMNA
SCHEMBL884218 0.89 HTT (0.50) HTTCYP1A2ACECYP2C19REN
SCHEMBL29625486 0.89 ACE (0.43) HTTACEOPRD1
SCHEMBL2162311 0.89 HTT (0.50) HTTCYP1A2ACECYP2C19REN
SCHEMBL28093144 0.87 HTT (0.42) HTTNR1I2OPRD1LMNA
SCHEMBL1360593 0.85 CYP1A2 (0.40) CYP1A2ACECYP2C19NR1I2REN
SCHEMBL1466679 0.84 HTT (0.40) HTTNR1I2OPRD1LMNA
SCHEMBL7974526 0.84 ACE (0.44) CYP1A2ACECYP2C19RENLMNA
SCHEMBL16106745 0.84 HTT (0.40) HTTNR1I2OPRD1LMNA

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 52 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-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS 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
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 HTT 500/4885CYP1A2 1075/4885ACE 1655/4885
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 HTT 2225/4885CYP1A2 2579/4885ACE 977/4885

“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.