SCHEMBL1967545

SCHEMBL1967545

COc1ccc(CCN(CC2CC2)C(=O)c2ncsc2-c2cccc(F)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
LPAR1 Q92633 3/20 0.42
LPAR5 Q9H1C0 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THPO P40225 1/20 0.42
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.38
CHRM3 P20309 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL1968841 0.91 HCRTR1 (0.45) CHRM5CHRM1LPAR1LPAR5CYP3A4
SCHEMBL1967192 0.91 HCRTR1 (0.45) TP53CHRM5CHRM1LMNAMAPT
SCHEMBL1969373 0.91 LPAR1 (0.43) CHRM5CHRM1LPAR1LPAR5HTR2A
SCHEMBL1964267 0.91 MAPT (0.45) CHRM5CHRM1LPAR1LPAR5MAPT
SCHEMBL1972116 0.90 HCRTR1 (0.45) CHRM5CHRM1CYP1A2CYP3A4LMNA
SCHEMBL1968184 0.90 LTC4S (0.42) LMNAMAPTKMT2AMEN1
SCHEMBL1968227 0.87 HCRTR1 (0.51) TP53CHRM5CHRM1LPAR1LPAR5
SCHEMBL1970804 0.86 TP53 (0.43) TP53CHRM5CHRM1LPAR1LPAR5
SCHEMBL1970480 0.86 CHRM5 (0.42) CHRM5CHRM1LPAR1LPAR5LMNA
SCHEMBL2407884 0.85 TP53 (0.42) TP53CHRM5CHRM1LPAR1LPAR5

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 TP53 4826/4885CHRM5 225/4885CHRM1 152/4885

“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.