SCHEMBL1966243

SCHEMBL1966243

COc1ccc(CCN(C)C(=O)N(C)C)cc1OC.Cc1nc(C(=O)O)c(-c2cccc(F)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.45
HCRTR2 O43614 6/20 0.45
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL2405437 0.89 HCRTR1 (0.49) HCRTR1HCRTR2NPC1TP53RAB9A
SCHEMBL1970656 0.87 NPC1 (0.42) HCRTR1HCRTR2NPC1TP53RAB9A
SCHEMBL1969710 0.83 NPC1 (0.48) HCRTR1HCRTR2NPC1RAB9AL3MBTL1
SCHEMBL1969535 0.82 HCRTR1 (0.54) HCRTR1HCRTR2NPC1TP53MAPT
SCHEMBL1967778 0.81 HCRTR1 (0.47) HCRTR1HCRTR2NPC1TP53MAPT
SCHEMBL1972136 0.81 HCRTR1 (0.47) HCRTR1HCRTR2NPC1TP53MAPT
SCHEMBL1970418 0.81 HCRTR1 (0.48) HCRTR1HCRTR2NPC1TP53MAPT
SCHEMBL1970257 0.81 HCRTR1 (0.47) HCRTR1HCRTR2NPC1TP53MAPT
SCHEMBL1967661 0.81 HCRTR1 (0.47) HCRTR1HCRTR2NPC1TP53MAPT
SCHEMBL1969366 0.81 HCRTR1 (0.53) HCRTR1HCRTR2TP53MAPTCHRM5

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 1/4885NPC1 1540/4885

“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.