SCHEMBL3739872

SCHEMBL3739872

O=C(CCc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
HSD11B1 P28845 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 1/20 0.43
DAO P14920 1/20 0.42
VNN1 O95497 2/20 0.41
GPR84 Q9NQS5 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
KCNJ11 Q14654 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CXCR2 P25025 1/20 0.39

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
SCHEMBL3747949 0.86 HSD11B1 (0.46) HSD11B1MRGPRX4DAOF2F10
SCHEMBL3732884 0.84 DAO (0.43) HSD11B1MRGPRX4DAOCXCR2
SCHEMBL3740255 0.83 DAO (0.42) GRM5MRGPRX4DAOVNN1
SCHEMBL3747705 0.82 MRGPRX4 (0.47) MRGPRX4ALDH1A1DAOVNN1
SCHEMBL3739873 0.82 GSK3B (0.47) MRGPRX4VNN1
SCHEMBL3735490 0.81 MRGPRX4 (0.47) MRGPRX4ALDH1A1DAOPDE4BPDE4D
SCHEMBL3741591 0.81 PPARD (0.41) ALDH1A1DAOCYP3A4CYP2C19
SCHEMBL3740298 0.81 PPARD (0.41) DAOCYP3A4CYP2C19
SCHEMBL3732820 0.81 PDPK1 (0.51) HSD11B1ERCC5FEN1GPR84F2
SCHEMBL3743226 0.80 PIM1 (0.42) MRGPRX4DAO

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 GRM5 131/4885HSD11B1 1153/4885MRGPRX4 245/4885

“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.