SCHEMBL264230

SCHEMBL264230

CCc1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
MLYCD O95822 3/20 0.35
DAO P14920 1/20 0.35
POLQ O75417 5/20 0.35
MCHR1 Q99705 1/20 0.34
POLB P06746 1/20 0.34
VNN1 O95497 1/20 0.34
SLC6A9 P48067 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL264232 1.00 ALDH1A1 (0.36) ALDH1A1LMNAHCRTR1HCRTR2MLYCD
SCHEMBL264231 1.00 ALDH1A1 (0.36) ALDH1A1LMNAHCRTR1HCRTR2MLYCD
SCHEMBL264979 0.90 PANK3 (0.39) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL264980 0.90 PANK3 (0.39) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL264981 0.90 PANK3 (0.39) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL272337 0.86 DAO (0.35) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL264249 0.86 MEN1 (0.36) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL264250 0.86 MEN1 (0.36) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL264248 0.86 MEN1 (0.36) HCRTR1HCRTR2MLYCDDAOPOLQ
SCHEMBL265925 0.86 POLQ (0.37) ALDH1A1MLYCDDAOPOLQVNN1

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 ALDH1A1 1706/4885LMNA 4560/4885HCRTR1 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.