SCHEMBL3740255

SCHEMBL3740255

O=C(CCc1ccc(C(F)(F)F)nc1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
FFAR1 O14842 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.37
GRM5 P41594 1/20 0.36
VNN1 O95497 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35
SYK P43405 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL3732884 0.84 DAO (0.43) DAOMRGPRX4CNR1CNR2HSD17B13
SCHEMBL3739872 0.83 GRM5 (0.47) DAOMRGPRX4GRM5VNN1
SCHEMBL3740298 0.81 PPARD (0.41) DAOKCNH2CNR1CNR2PPARD
SCHEMBL3741591 0.81 PPARD (0.41) DAOHSD17B13PPARD
SCHEMBL3747949 0.79 HSD11B1 (0.46) DAOMRGPRX4
SCHEMBL3747714 0.79 DAO (0.43) DAOMRGPRX4PPARD
SCHEMBL3740354 0.78 ACHE (0.45) DAO
SCHEMBL3730577 0.77 CTNNB1 (0.52) DAOPPARD
SCHEMBL3743226 0.77 PIM1 (0.42) DAOFFAR1MRGPRX4PPARD
SCHEMBL3739676 0.76 ACHE (0.56)

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 DAO 483/4885SMARCA2 2696/4885SMARCA4 2911/4885

“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.