SCHEMBL265923

SCHEMBL265923

N#Cc1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLQ O75417 8/20 0.37
MLYCD O95822 2/20 0.36
EPHX2 P34913 1/20 0.36
CYP19A1 P11511 2/20 0.36
VNN1 O95497 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
DAO P14920 1/20 0.34
MAOB P27338 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL265925 1.00 POLQ (0.37) POLQMLYCDEPHX2CYP19A1VNN1
SCHEMBL265924 1.00 POLQ (0.37) POLQMLYCDEPHX2CYP19A1VNN1
SCHEMBL264981 0.87 PANK3 (0.39) POLQMLYCDDAO
SCHEMBL264980 0.87 PANK3 (0.39) POLQMLYCDDAO
SCHEMBL264979 0.87 PANK3 (0.39) POLQMLYCDDAO
SCHEMBL264230 0.86 ALDH1A1 (0.36) POLQMLYCDVNN1ALDH1A1DAO
SCHEMBL272337 0.86 DAO (0.35) POLQMLYCDDAO
SCHEMBL264232 0.86 ALDH1A1 (0.36) POLQMLYCDVNN1ALDH1A1DAO
SCHEMBL264231 0.86 ALDH1A1 (0.36) POLQMLYCDVNN1ALDH1A1DAO
SCHEMBL264629 0.84 POLQ (0.37) POLQDAO

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 POLQ 4600/4885MLYCD 3657/4885EPHX2 1106/4885

“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.