SCHEMBL265452

SCHEMBL265452

FC(F)(F)c1ccc(CCNc2ccc3c(c2)CCC3)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
DAO P14920 1/20 0.43
CXCR4 P61073 2/20 0.41
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
AURKB Q96GD4 1/20 0.36
USP36 Q9P275 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL264370 0.82 DAO (0.40) PPARDDAOCXCR4AURKBKDM1A
SCHEMBL264543 0.81 MAPT (0.39) DAOAURKBTRPV1MAPTHTT
SCHEMBL3647094 0.79 KCNH2 (0.43) MAPTALDH1A1GAACCNCCDK8
SCHEMBL264418 0.78 HRH3 (0.48) PPARDDAOSTK17AAURKBKDM1A
SCHEMBL265365 0.78 GABRG2 (0.42) DAOTRPV1
SCHEMBL265027 0.76 DAO (0.41) PPARDDAOSTK17AAURKBKDM1A
SCHEMBL264416 0.76 DAO (0.41) PPARDDAOSTK17AAURKBKDM1A
SCHEMBL266347 0.76 DAO (0.42) PPARDDAOAURKBTRPV1KDM1A
SCHEMBL265688 0.75 HDAC1 (0.50) DAOAURKBKDM1AMAOAMAOB
SCHEMBL271864 0.75 DAO (0.43) DAOSTK17BSTK17AKDM1AMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 PPARD 1003/4885DAO 1311/4885CXCR4 939/4885

“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.