SCHEMBL3740803

SCHEMBL3740803

O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.74
MAOA P21397 2/20 0.74
STAT3 P40763 1/20 0.72
MAPT P10636 5/20 0.70
ALDH1A1 P00352 2/20 0.70
TRPV1 Q8NER1 1/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 1/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.61
CXCL12 P48061 1/20 0.60
CYP1A1 P04798 3/20 0.59
CYP1B1 Q16678 3/20 0.59
P4HB P07237 1/20 0.59

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
SCHEMBL3740801 0.92 MAPT (0.72) MAOBMAOASTAT3MAPTALDH1A1
SCHEMBL1430555 0.84 STAT3 (1.00) MAOBMAOASTAT3MAPTALDH1A1
SCHEMBL2358032 0.84 STAT3 (1.00) MAOBMAOASTAT3MAPTALDH1A1
SCHEMBL29937539 0.84 STAT3 (1.00) MAOBMAOASTAT3MAPTALDH1A1
SCHEMBL16052573 0.83 MAOB (0.85) MAOBMAOASTAT3MAPTALDH1A1
SCHEMBL16052572 0.83 MAOB (0.85) MAOBMAOASTAT3MAPTALDH1A1
SCHEMBL3746448 0.81 CYP1A1 (0.58) MAOBMAOASTAT3CXCL12CYP1A1
SCHEMBL11816722 0.80 CYP1A1 (0.87) MAOBMAOAMAPTCXCL12CYP1A1
SCHEMBL11816718 0.80 CYP1A1 (0.87) MAOBMAOAMAPTCXCL12CYP1A1
SCHEMBL13675904 0.79 TRPV1 (1.00) MAOBMAPTALDH1A1TRPV1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 MAOB 716/4885MAOA 858/4885STAT3 2481/4885

“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.