SCHEMBL264980

SCHEMBL264980

CC(C)c1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)[C@H](O)c2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.39
MCHR1 Q99705 1/20 0.37
MLYCD O95822 5/20 0.36
DAO P14920 1/20 0.36
POLQ O75417 6/20 0.35
POLB P06746 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 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
SCHEMBL264981 1.00 PANK3 (0.39) PANK3MCHR1MLYCDDAOPOLQ
SCHEMBL264979 1.00 PANK3 (0.39) PANK3MCHR1MLYCDDAOPOLQ
SCHEMBL264232 0.90 ALDH1A1 (0.36) MCHR1MLYCDDAOPOLQPOLB
SCHEMBL264230 0.90 ALDH1A1 (0.36) MCHR1MLYCDDAOPOLQPOLB
SCHEMBL264231 0.90 ALDH1A1 (0.36) MCHR1MLYCDDAOPOLQPOLB
SCHEMBL272337 0.88 DAO (0.35) MCHR1MLYCDDAOPOLQHCRTR1
SCHEMBL265925 0.87 POLQ (0.37) MLYCDDAOPOLQ
SCHEMBL265924 0.87 POLQ (0.37) MLYCDDAOPOLQ
SCHEMBL265923 0.87 POLQ (0.37) MLYCDDAOPOLQ
SCHEMBL266187 0.87 DAO (0.36) MCHR1DAOPOLQHCRTR1HCRTR2

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 4 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
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
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 PANK3 4601/4885MCHR1 23/4885MLYCD 3657/4885

“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.