SCHEMBL265930

SCHEMBL265930

CCn1cc(NCCc2ccc(C(F)(F)F)nc2)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
IKBKE Q14164 2/20 0.36
TBK1 Q9UHD2 2/20 0.36
CSF1R P07333 2/20 0.36
STK17B O94768 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ULK3 Q6PHR2 1/20 0.36
NUAK2 Q9H093 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MYLK2 Q9H1R3 2/20 0.36
DAO P14920 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
SCHEMBL265097 0.73 MAPT (0.50) ALDH1A1GAACSF1RDAOTKT
SCHEMBL265001 0.73 GRM4 (0.41) ALDH1A1GAAKCNQ3KCNQ2KCNQ4
SCHEMBL265830 0.70 HRH3 (0.48) CYP1A2ALDH1A1LMNAGAADAO
SCHEMBL3851699 0.69 DAO (0.50) CYP1A2ALDH1A1LMNAKCNQ3KCNQ2
SCHEMBL9052722 0.68 ALDH1A1 (0.56) LRRK2CYP1A2ALDH1A1LMNAGAA
SCHEMBL272264 0.68 DAO (0.42) ALDH1A1LMNADAOTKTEP300
Hydrochloric Acid SCHEMBL20582040 0.67 DAO (0.46) CYP1A2ALDH1A1LMNAKCNQ3KCNQ2
SCHEMBL12224352 0.66 NFKB1 (0.50) CYP1A2ALDH1A1LMNAGAADAO
SCHEMBL28531271 0.66 PPARD (0.35) LRRK2IKBKETBK1CSF1RSTK17B
SCHEMBL263388 0.66 MAPT (0.43) CYP1A2ALDH1A1LMNAGAACSF1R

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 7 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
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 LRRK2 2119/4885CYP1A2 404/4885ALDH1A1 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.