SCHEMBL3729438

SCHEMBL3729438

O=C(C=Cc1ccc(C(F)(F)F)nc1)c1cccc(OC(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
MAOB P27338 4/20 0.47
CYP3A4 P08684 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL3735487 0.90 MAOB (0.51) NPC1RAB9AABCG2CYP1A2CYP1A1
SCHEMBL3729435 0.87 MAOB (0.47) NPC1RAB9ACYP1A2CYP1A1CYP1B1
SCHEMBL3743387 0.81 CYP1A1 (0.60) CYP1A2CYP1A1CYP1B1MAOBCYP3A4
SCHEMBL8172927 0.81 ABCG2 (0.55) ABCG2CYP1A2CYP1A1CYP1B1CYP3A4
SCHEMBL3738143 0.81 ABCG2 (0.55) ABCG2CYP1A2CYP1A1CYP1B1CYP3A4
SCHEMBL4430738 0.81 MRGPRX4 (0.43) NPC1RAB9AMRGPRX4LMNAMAPT
SCHEMBL3736318 0.78 LMNA (0.50) ABCG2CYP1A2CYP1A1CYP1B1CYP3A4
SCHEMBL3735485 0.76 MAOB (0.51) CYP1A2CYP1A1CYP1B1MAOBCYP3A4
SCHEMBL3735490 0.76 MRGPRX4 (0.47) NPC1RAB9AMAOBMRGPRX4MAPT
SCHEMBL3734081 0.75 CYP1A1 (0.47) CYP1A1CYP1B1MAOBMAPTP4HB

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 NPC1 2212/4885RAB9A 1267/4885ABCG2 3975/4885

“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.