SCHEMBL3732464

SCHEMBL3732464

Cc1cc(C(=O)C=Cc2ccc(F)cn2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.43
TNFRSF1A P19438 1/20 0.42
SNCA P37840 1/20 0.40
PFKFB3 Q16875 1/20 0.40
PTGS2 P35354 2/20 0.39
MAOA P21397 2/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KRAS P01116 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
MDM2 Q00987 1/20 0.39
ALOX5 P09917 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3733161 0.85 CYP1A1 (0.48) NTSR1SNCAPFKFB3CYP1A1CYP1B1
SCHEMBL3735792 0.82 NTSR1 (0.50) NTSR1SNCAPFKFB3PTGS2CYP1A1
SCHEMBL3742795 0.81 APLNR (0.41) NTSR1TNFRSF1ASNCAPFKFB3PTGS2
SCHEMBL3737992 0.77 NTSR1 (0.54) NTSR1TNFRSF1ASNCAPTGS2MAOA
SCHEMBL3735640 0.77 NTSR1 (0.56) NTSR1TNFRSF1ASNCAPTGS2CYP1A1
SCHEMBL8160897 0.77 NTSR1 (0.56) NTSR1TNFRSF1ASNCAPTGS2CYP1A1
SCHEMBL3742755 0.75 NTSR1 (0.49) NTSR1TNFRSF1ASNCAPTGS2MAOA
SCHEMBL3732460 0.75 CYP1A1 (0.45) TNFRSF1APTGS2MAOACYP1A1CYP1B1
SCHEMBL3735484 0.74 PTGS2 (0.48) NTSR1TNFRSF1ASNCAPTGS2CYP1A1
SCHEMBL3733057 0.73 MAOB (0.62) NTSR1PTGS2CYP1A1CYP1B1MAOB

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 NTSR1 33/4885TNFRSF1A 3647/4885SNCA 2313/4885

“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.