SCHEMBL883999

SCHEMBL883999

O=C(O)C1CCN(CCO)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
SLC6A1 P30531 4/20 0.42
S1PR5 Q9H228 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
SLC6A11 P48066 1/20 0.41
NOTUM Q6P988 1/20 0.41
SLC18A3 Q16572 1/20 0.41

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
SCHEMBL1361486 0.89 S1PR4 (0.43) S1PR5S1PR4S1PR1S1PR3
SCHEMBL3840286 0.89 SLC6A1 (0.54) CYP1A2SLC6A1ALDH1A1LMNACYP2D6
SCHEMBL3794817 0.88 SLC18A3 (0.47) SMN1; SMN2ALDH1A1LMNATSHRCYP2C19
SCHEMBL883997 0.84 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2SLC6A1S1PR5ALDH1A1
SCHEMBL3842807 0.84 SLC6A1 (0.50) SMN1; SMN2CYP1A2SLC6A1ALDH1A1LMNA
SCHEMBL3264345 0.83 CYP1A2 (0.46) SMN1; SMN2CYP1A2S1PR5ALDH1A1S1PR4
SCHEMBL884034 0.83 S1PR5 (0.42) S1PR5ALDH1A1S1PR4S1PR1S1PR3
SCHEMBL24690291 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CYP2D6CYP2C19SLC18A3
SCHEMBL22677330 0.82 SMN1; SMN2 (0.62) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL22675343 0.82 SMN1; SMN2 (0.62) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133179-B2 2-methoxy-pyridin-4-yl-derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-15 US claimed
EP-2665720-B1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-10 EP claimed
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP claimed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP claimed
EP-2665720-A1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-11-27 EP claimed
US-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-14 US claimed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP claimed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US claimed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP claimed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP claimed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO claimed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 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
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS 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 (1 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-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES CD4, IL2, IL4 SMN1; SMN2 3386/4885CYP1A2 82/4885SLC6A1 4832/4885

“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.