SCHEMBL3743387

SCHEMBL3743387

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP1B1 Q16678 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
MAOB P27338 7/20 0.51
RELA Q04206 1/20 0.47
MAOA P21397 4/20 0.47
PTPN1 P18031 1/20 0.47
GRM5 P41594 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
P4HB P07237 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL3743383 0.85 MAOB (0.64) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3735487 0.82 MAOB (0.51) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3729438 0.81 NPC1 (0.50) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3738227 0.81 PTGS2 (0.47) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3740408 0.81 MAOB (0.64) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3740516 0.81 P4HB (0.45) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3735484 0.80 PTGS2 (0.48) CYP1A1CYP1A2CYP1B1MAOBMAPT
SCHEMBL3734081 0.79 CYP1A1 (0.47) CYP1A1CYP1B1MAOBMAPTP4HB
SCHEMBL17492426 0.77 MAOB (0.73) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL17492427 0.77 MAOB (0.73) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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 CYP1A1 1184/4885CYP1A2 1026/4885CYP1B1 976/4885

“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.