SCHEMBL271864

SCHEMBL271864

FC(F)(F)c1ccc(CCNc2ccc3c(c2)CCC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
NAMPT P43490 1/20 0.37
STK17A Q9UEE5 3/20 0.36
STK17B O94768 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 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
SCHEMBL264961 0.99 DAO (0.41) DAOALDH1A1MAPTKDM4ETDP1
SCHEMBL265295 0.81 TRPV1 (0.42) DAOALDH1A1MAPTGAAHTT
SCHEMBL3647094 0.79 KCNH2 (0.43) ALDH1A1MAPTKDM4EGAAPOLB
SCHEMBL265830 0.78 HRH3 (0.48) DAOALDH1A1MAPTGAANPC1
SCHEMBL1425376 0.77 EP300 (0.37) ALDH1A1KDM4ENPC1RAB9ANAMPT
SCHEMBL267315 0.77 TRPV1 (0.54) DAOALDH1A1MAPTKDM4EGAA
SCHEMBL265097 0.76 MAPT (0.50) DAOALDH1A1MAPTGAAHTT
SCHEMBL264967 0.75 MAPT (0.53) ALDH1A1MAPTTP53HTTSMN1; SMN2
SCHEMBL265452 0.75 PPARD (0.43) DAOALDH1A1MAPTGAANPC1
SCHEMBL3739273 0.75 CTNNB1 (0.51) DAOALDH1A1MAPTTDP1NPC1

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 5 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
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US 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
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 DAO 1311/4885ALDH1A1 1706/4885MAPT 2689/4885

“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.