SCHEMBL3740516

SCHEMBL3740516

O=C(C=Cc1ccc(C(F)(F)F)nc1)c1cccc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.45
TRPV1 Q8NER1 1/20 0.42
MAOB P27338 3/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1B1 Q16678 2/20 0.38
P2RX7 Q99572 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL3746165 0.85 P4HB (0.45) P4HBTRPV1MAOBMAPTKDM4E
SCHEMBL3734674 0.82 MAOB (0.53) P4HBMAOBCYP1A1CYP1A2CYP1B1
SCHEMBL3743387 0.81 CYP1A1 (0.60) P4HBTRPV1MAOBMAPTCYP1A1
SCHEMBL3740614 0.77 MAOB (0.59) MAOBMAPTKDM4ENPC1PKM
SCHEMBL1124343 0.76 TRPV1 (0.50) P4HBTRPV1MAOBCYP1A1CYP1A2
SCHEMBL1124342 0.76 TRPV1 (0.50) P4HBTRPV1MAOBCYP1A1CYP1A2
SCHEMBL3740513 0.76 NFE2L2 (0.41) P4HBMAOBCYP1A1CYP1B1HDAC3
SCHEMBL30025274 0.74 P4HTM (0.58) TRPV1MAPTKDM4ENPC1PKM
SCHEMBL3662968 0.74 P4HTM (0.58) TRPV1MAPTKDM4ENPC1PKM
SCHEMBL454424 0.74 P4HTM (0.58) TRPV1MAPTKDM4ENPC1PKM

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 P4HB 4731/4885TRPV1 491/4885MAOB 716/4885

“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.