SCHEMBL3743383

SCHEMBL3743383

O=C(/C=C/c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.64
MAOA P21397 4/20 0.64
CYP1B1 Q16678 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP1A1 P04798 4/20 0.51
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.50
P4HB P07237 3/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3743387 0.85 CYP1A1 (0.60) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL3735485 0.82 MAOB (0.51) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL3729435 0.81 MAOB (0.47) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL3738224 0.81 PTGS2 (0.50) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL3740407 0.81 MAOB (0.69) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL4441671 0.80 PTGS2 (0.51) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL3735482 0.80 PTGS2 (0.51) MAOBMAOACYP1B1CYP1A2CYP1A1
SCHEMBL3734079 0.79 CYP1A1 (0.47) MAOBMAOACYP1B1CYP1A1P4HB
SCHEMBL3740513 0.78 NFE2L2 (0.41) MAOBMAOACYP1B1CYP1A1P4HB
SCHEMBL11800073 0.77 MAOB (0.82) MAOBMAOACYP1B1CYP1A2CYP1A1

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 5 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
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 MAOB 716/4885MAOA 858/4885CYP1B1 976/4885

“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.