SCHEMBL265381

SCHEMBL265381

Cn1c(=O)n(C)c2cc(NCCc3ccc(C(F)(F)F)nc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 1/20 0.43
DAO P14920 1/20 0.42
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
TRIM24 O15164 1/20 0.40
BRD4 O60885 1/20 0.40
THRB P10828 2/20 0.39

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
SCHEMBL265830 0.77 HRH3 (0.48) GAAALDH1A1LMNAHTTDAO
SCHEMBL27808347 0.76 DAO (0.38) DAO
SCHEMBL265097 0.75 MAPT (0.50) GAAALDH1A1MAPK1HTTDAO
SCHEMBL265001 0.74 GRM4 (0.41) SMN1; SMN2GAAALDH1A1DAORAB9A
SCHEMBL264967 0.74 MAPT (0.53) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL264961 0.72 DAO (0.41) SMN1; SMN2GAAALDH1A1TP53HTT
SCHEMBL263388 0.72 MAPT (0.43) GAAALDH1A1LMNATSHRMAPK1
SCHEMBL272264 0.72 DAO (0.42) SMN1; SMN2ALDH1A1LMNADAORAB9A
SCHEMBL265539 0.72 DAO (0.35) TP53DAO
SCHEMBL271864 0.71 DAO (0.43) SMN1; SMN2GAAALDH1A1TP53HTT

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 SMN1; SMN2 2018/4885GAA 3849/4885ALDH1A1 1706/4885

“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.