SCHEMBL3735490

SCHEMBL3735490

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.47
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
TDP1 Q9NUW8 2/20 0.40
FAAH O00519 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.39
DAO P14920 1/20 0.39
ABCB1 P08183 5/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38

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
SCHEMBL3747705 0.90 MRGPRX4 (0.47) MRGPRX4TDP1FAAHALDH1A1MAPT
SCHEMBL3732785 0.84 PDE4D (0.62) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL3747949 0.82 HSD11B1 (0.46) MRGPRX4MAPTDAOKDM4ENPC1
SCHEMBL3744917 0.82 PDE4A (0.52) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL3739872 0.81 GRM5 (0.47) MRGPRX4PDE4BPDE4DALDH1A1DAO
SCHEMBL3743868 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3739873 0.81 GSK3B (0.47) MRGPRX4
SCHEMBL3729438 0.76 NPC1 (0.50) MRGPRX4ALDH1A1MAPTMAOBNPC1
SCHEMBL3734552 0.75 VNN1 (0.46) MRGPRX4FAAHDAONPC1RAB9A
SCHEMBL3747714 0.75 DAO (0.43) MRGPRX4ALDH1A1MAPTDAOKMT2A

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 MRGPRX4 245/4885PDE4A 2570/4885PDE4B 2627/4885

“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.