SCHEMBL1966348

SCHEMBL1966348

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.46
HCRTR2 O43614 11/20 0.46
TP53 P04637 1/20 0.42
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL1969535 0.91 HCRTR1 (0.54) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1972136 0.90 HCRTR1 (0.47) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1967778 0.90 HCRTR1 (0.47) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1970257 0.89 HCRTR1 (0.47) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1967661 0.89 HCRTR1 (0.47) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1967892 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1968414 0.88 HCRTR1 (0.44) HCRTR1HCRTR2TP53MAPTSMN1; SMN2
SCHEMBL2405437 0.87 HCRTR1 (0.49) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1968227 0.87 HCRTR1 (0.51) HCRTR1HCRTR2TP53CHRM5CHRM1
SCHEMBL1970418 0.85 HCRTR1 (0.48) HCRTR1HCRTR2TP53CHRM5CHRM1

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 4 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
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

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 HCRTR1 2/4885HCRTR2 1/4885TP53 4826/4885

“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.