SCHEMBL3740407

SCHEMBL3740407

O=C(/C=C/c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.69
CYP1B1 Q16678 8/20 0.69
CYP1A1 P04798 7/20 0.69
P4HB P07237 2/20 0.65
MAOA P21397 3/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CXCL12 P48061 1/20 0.55
CYP2D6 P10635 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 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
SCHEMBL3740408 0.86 MAOB (0.64) MAOBCYP1B1CYP1A1P4HBMAOA
SCHEMBL11800073 0.85 MAOB (0.82) MAOBCYP1B1CYP1A1MAOACYP1A2
SCHEMBL25197853 0.84 P4HB (0.75) MAOBCYP1B1CYP1A1P4HBCYP1A2
SCHEMBL30384167 0.84 P4HB (0.75) MAOBCYP1B1CYP1A1P4HBCYP1A2
SCHEMBL25211692 0.84 P4HB (0.75) MAOBCYP1B1CYP1A1P4HBCYP1A2
SCHEMBL30384485 0.84 P4HB (0.75) MAOBCYP1B1CYP1A1P4HBCYP1A2
SCHEMBL7304478 0.82 MAOB (0.77) MAOBCYP1B1CYP1A1P4HBMAOA
SCHEMBL30414139 0.82 MAOB (0.77) MAOBCYP1B1CYP1A1P4HBMAOA
SCHEMBL7304477 0.82 MAOB (0.77) MAOBCYP1B1CYP1A1P4HBMAOA
SCHEMBL1225700 0.82 CYP1B1 (0.75) MAOBCYP1B1CYP1A1P4HBMAOA

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 716/4885CYP1B1 976/4885CYP1A1 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.