SCHEMBL1970804

SCHEMBL1970804

COc1ccc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(F)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL1968227 0.91 HCRTR1 (0.51) TP53HCRTR1HCRTR2CHRM5CHRM1
SCHEMBL1967334 0.91 HCRTR1 (0.51) HCRTR1HCRTR2F2F10F7
SCHEMBL1967048 0.91 ALDH1A1 (0.44) HCRTR1HCRTR2CHRM5CHRM1LPAR1
SCHEMBL1968244 0.91 HCRTR1 (0.51) HCRTR1HCRTR2F2F10F7
SCHEMBL2407884 0.90 TP53 (0.42) TP53HCRTR1HCRTR2CHRM5CHRM1
SCHEMBL1968965 0.88 CHRM5 (0.40) CHRM5CHRM1LPAR1LPAR5F2
SCHEMBL2406960 0.87 HCRTR1 (0.43) HCRTR1HCRTR2F2F10F7
SCHEMBL1969080 0.86 HCRTR1 (0.45) HCRTR1HCRTR2F2F10F7
SCHEMBL1972064 0.86 HCRTR1 (0.45) HCRTR1HCRTR2F2F10F7
SCHEMBL1967545 0.86 TP53 (0.44) 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 4826/4885HCRTR1 2/4885HCRTR2 1/4885

“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.