SCHEMBL3746448

SCHEMBL3746448

O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.58
CYP1B1 Q16678 7/20 0.58
P4HB P07237 1/20 0.58
MAOB P27338 9/20 0.56
MAOA P21397 4/20 0.49
CYP1A2 P05177 1/20 0.49
CXCL12 P48061 1/20 0.48
STAT3 P40763 1/20 0.47
GPR183 P32249 1/20 0.47

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
SCHEMBL3746445 0.93 CYP1A1 (0.58) CYP1A1CYP1B1P4HBMAOBCXCL12
SCHEMBL3740803 0.81 MAOB (0.74) CYP1A1CYP1B1P4HBMAOBMAOA
SCHEMBL11816718 0.79 CYP1A1 (0.87) CYP1A1CYP1B1P4HBMAOBMAOA
SCHEMBL11816722 0.79 CYP1A1 (0.87) CYP1A1CYP1B1P4HBMAOBMAOA
Bromide SCHEMBL11817515 0.78 CYP1A1 (0.84) CYP1A1CYP1B1P4HBMAOBMAOA
Hydrochloric Acid SCHEMBL11819369 0.78 CYP1A1 (0.84) CYP1A1CYP1B1P4HBMAOBMAOA
Hydrochloric Acid SCHEMBL11819375 0.78 CYP1A1 (0.84) CYP1A1CYP1B1P4HBMAOBMAOA
Bromide SCHEMBL11817521 0.78 CYP1A1 (0.84) CYP1A1CYP1B1P4HBMAOBMAOA
SCHEMBL2665097 0.77 CYP2D6 (0.48) CYP1A1CYP1B1MAOBMAOASTAT3
SCHEMBL7062928 0.77 CYP2D6 (0.48) CYP1A1CYP1B1MAOBMAOASTAT3

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-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO 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 CYP1A1 1184/4885CYP1B1 976/4885P4HB 4731/4885

“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.