SCHEMBL1970480

SCHEMBL1970480

COc1ccc(CCN(CC2CC2)C(=O)c2ncsc2-c2ccccc2F)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LPAR1 Q92633 7/20 0.41
LPAR5 Q9H1C0 7/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1964267 0.88 MAPT (0.45) CHRM5CHRM1CHRM3ALDH1A1LPAR1
SCHEMBL1969373 0.86 LPAR1 (0.43) CHRM5CHRM1CHRM3ALDH1A1LPAR1
SCHEMBL1968965 0.86 CHRM5 (0.40) CHRM5CHRM1CHRM3ALDH1A1LPAR1
SCHEMBL1967545 0.86 TP53 (0.44) CHRM5CHRM1CHRM3LPAR1LPAR5
SCHEMBL1967610 0.84 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL1967192 0.83 HCRTR1 (0.45) CHRM5CHRM1CHRM3ALDH1A1MAPT
SCHEMBL1968841 0.83 HCRTR1 (0.45) CHRM5CHRM1CHRM3ALDH1A1LPAR1
SCHEMBL1972116 0.82 HCRTR1 (0.45) CHRM5CHRM1CHRM3MAPTLMNA
SCHEMBL1968184 0.82 LTC4S (0.42) KDM4EMAPTLMNA
SCHEMBL1967886 0.80 HCRTR1 (0.45) ALDH1A1LPAR1LPAR5LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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 (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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CHRM5 225/4885CHRM1 152/4885CHRM3 155/4885

“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.