SCHEMBL272344

SCHEMBL272344

CC(=O)OC(C(=O)N(CCc1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 8/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
DAO P14920 1/20 0.32
MCHR1 Q99705 1/20 0.32
GAA P10253 1/20 0.32
SLC6A9 P48067 1/20 0.32
POLB P06746 1/20 0.32
MLYCD O95822 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
SCHEMBL272360 0.84 MEN1 (0.35) POLQHCRTR1HCRTR2KMT2ADAO
SCHEMBL271972 0.84 KDM4E (0.38) POLQHCRTR1HCRTR2KMT2APOLB
SCHEMBL271869 0.83 TRPM8 (0.34) POLQDAOMCHR1
SCHEMBL265649 0.80 TACR1 (0.37) HCRTR1HCRTR2KMT2AMCHR1
SCHEMBL264981 0.79 PANK3 (0.39) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264979 0.79 PANK3 (0.39) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264980 0.79 PANK3 (0.39) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264231 0.77 ALDH1A1 (0.36) POLQHCRTR1HCRTR2KMT2ADAO
SCHEMBL264232 0.77 ALDH1A1 (0.36) POLQHCRTR1HCRTR2KMT2ADAO
SCHEMBL264230 0.77 ALDH1A1 (0.36) POLQHCRTR1HCRTR2KMT2ADAO

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 4600/4885HCRTR1 2/4885HCRTR2 1/4885

“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.