SCHEMBL264953

SCHEMBL264953

Cc1ccc(NC(=O)C(=O)c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
SORT1 Q99523 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 2/20 0.43

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
SCHEMBL31110262 0.84 KCNQ3 (0.67) RAB9ANPC1KCNQ3KCNQ2P4HTM
SCHEMBL13947518 0.84 KCNQ3 (0.67) RAB9ANPC1KCNQ3KCNQ2P4HTM
SCHEMBL265831 0.81 KCNQ3 (0.72) KCNQ3KCNQ2P4HTM
SCHEMBL2242286 0.79 NPSR1 (0.57) RAB9ANPC1NPSR1KCNQ3KCNQ2
SCHEMBL30919458 0.79 NPSR1 (0.57) RAB9ANPC1NPSR1KCNQ3KCNQ2
SCHEMBL12921258 0.79 RAB9A (0.66) RAB9ANPC1KCNQ3KCNQ2P4HTM
SCHEMBL22747808 0.79 PRMT5 (0.52) RAB9ANPC1KCNQ3KCNQ2CCNE1
SCHEMBL2666327 0.78 NPSR1 (0.53) RAB9ANPC1NPSR1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL23213944 0.78 NPSR1 (0.55) RAB9ANPC1NPSR1KCNQ3KCNQ2
SCHEMBL266124 0.77 SMARCA2 (0.52) RAB9ANPC1CCNE1CDK2CDK5

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 10 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
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN 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 RAB9A 4027/4885NPC1 1723/4885NPSR1 3/4885

“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.