SCHEMBL3735485

SCHEMBL3735485

O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
P4HB P07237 4/20 0.49
CYP1A1 P04798 4/20 0.48
CYP1B1 Q16678 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.47
BCHE P06276 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.45
MAPT P10636 1/20 0.42

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
SCHEMBL3729435 0.90 MAOB (0.47) MAOBP4HBCYP1A1CYP1B1CYP1A2
SCHEMBL3735487 0.86 MAOB (0.51) MAOBP4HBCYP1A1CYP1B1CYP1A2
SCHEMBL2646518 0.83 MAOB (0.64) MAOBP4HBCYP1A1CYP1B1CYP1A2
SCHEMBL3743383 0.82 MAOB (0.64) MAOBP4HBCYP1A1CYP1B1CYP1A2
SCHEMBL25203590 0.81 P4HB (0.70) MAOBP4HBCYP1A1CYP1B1CYP1A2
SCHEMBL3736318 0.76 LMNA (0.50) CYP1A1CYP1B1CYP1A2CYP2D6CYP3A4
SCHEMBL3729438 0.76 NPC1 (0.50) MAOBP4HBCYP1A1CYP1B1CYP1A2
SCHEMBL3734079 0.76 CYP1A1 (0.47) MAOBP4HBCYP1A1CYP1B1MAOA
SCHEMBL3748001 0.76 ABCG2 (0.66) CYP1A1CYP1B1CYP1A2CYP2D6CYP3A4
SCHEMBL9071497 0.75 MAOB (0.57) MAOBP4HBCYP1A1CYP1B1CYP1A2

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 MAOB 716/4885P4HB 4731/4885CYP1A1 1184/4885

“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.