SCHEMBL266076

SCHEMBL266076

FC(F)(F)c1ccc(CCNc2cnc3ccccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
MKNK2 Q9HBH9 1/20 0.49
TRPV1 Q8NER1 7/20 0.49
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL5018962 0.88 HDAC6 (0.64) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL848086 0.81 MCHR1 (0.62) MEN1KMT2AHDAC6TRPV1CNR2
SCHEMBL4949897 0.77 TRPV1 (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL28050901 0.76 CYP11B1 (0.46) HDAC6CNR2CNR1ALPL
SCHEMBL29432900 0.76 CNR1 (0.57) ALDH1A1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL5512929 0.75 L3MBTL1 (0.66) ALDH1A1MAPTCNR1CCNCCDK8
SCHEMBL5796726 0.74 RAB9A (0.56) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL22803564 0.74 NPC1 (0.70) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL846547 0.74 TRPV1 (0.77) KDM4EALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL265079 0.73 RORC (0.47) MKNK2CNR1CCNCCDK8

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 9 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
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
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
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 KDM4E 3175/4885ALDH1A1 1706/4885RAB9A 4027/4885

“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.