SCHEMBL3740408

SCHEMBL3740408

O=C(C=Cc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.64
CYP1A1 P04798 7/20 0.61
CYP1B1 Q16678 7/20 0.61
P4HB P07237 2/20 0.59
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
RELA Q04206 1/20 0.55
MAOA P21397 3/20 0.54
PTPN1 P18031 1/20 0.52
MET P08581 1/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL3740407 0.86 MAOB (0.69) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL17492426 0.85 MAOB (0.73) MAOBCYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL17492427 0.85 MAOB (0.73) MAOBCYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL8233699 0.84 P4HB (0.69) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL8233695 0.84 P4HB (0.69) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL657469 0.82 CYP1B1 (0.75) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL1225698 0.82 CYP1B1 (0.75) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL1225700 0.82 CYP1B1 (0.75) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL657470 0.82 CYP1B1 (0.75) MAOBCYP1A1CYP1B1P4HBCYP1A2
SCHEMBL657846 0.82 MAOB (0.82) MAOBCYP1A1CYP1B1CYP1A2CYP3A4

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 716/4885CYP1A1 1184/4885CYP1B1 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.