SCHEMBL272337

SCHEMBL272337

[C-]#[N+]c1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
POLQ O75417 8/20 0.35
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
MCHR1 Q99705 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMT2A Q03164 1/20 0.32
MLYCD O95822 3/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL264980 0.88 PANK3 (0.39) DAOPOLQHCRTR1HCRTR2MCHR1
SCHEMBL264981 0.88 PANK3 (0.39) DAOPOLQHCRTR1HCRTR2MCHR1
SCHEMBL264979 0.88 PANK3 (0.39) DAOPOLQHCRTR1HCRTR2MCHR1
SCHEMBL264231 0.86 ALDH1A1 (0.36) DAOPOLQHCRTR1HCRTR2MCHR1
SCHEMBL264232 0.86 ALDH1A1 (0.36) DAOPOLQHCRTR1HCRTR2MCHR1
SCHEMBL264230 0.86 ALDH1A1 (0.36) DAOPOLQHCRTR1HCRTR2MCHR1
SCHEMBL265925 0.86 POLQ (0.37) DAOPOLQMLYCD
SCHEMBL265924 0.86 POLQ (0.37) DAOPOLQMLYCD
SCHEMBL265923 0.86 POLQ (0.37) DAOPOLQMLYCD
SCHEMBL264628 0.85 POLQ (0.37) DAOPOLQHCRTR1HCRTR2MCHR1

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 2 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-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 DAO 1311/4885POLQ 4600/4885HCRTR1 2/4885

“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.