SCHEMBL265373

SCHEMBL265373

COc1cc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](O)c2ccc(F)cc2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.38
NTRK1 P04629 3/20 0.38
NTRK2 Q16620 3/20 0.38
TRPA1 O75762 1/20 0.35
QPCT Q16769 4/20 0.34
GPBAR1 Q8TDU6 4/20 0.34
P2RX7 Q99572 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.33
LTC4S Q16873 1/20 0.33
PPARD Q03181 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
SCHEMBL265374 1.00 CSF1R (0.38) CSF1RNTRK1NTRK2TRPA1QPCT
SCHEMBL264166 0.92 GPBAR1 (0.37) CSF1RGPBAR1P2RX7PPARD
SCHEMBL264165 0.92 GPBAR1 (0.37) CSF1RGPBAR1P2RX7PPARD
SCHEMBL265265 0.90 DAO (0.36) CSF1RNTRK1NTRK2TRPA1P2RX7
SCHEMBL265266 0.90 DAO (0.36) CSF1RNTRK1NTRK2TRPA1P2RX7
SCHEMBL264736 0.84 MLYCD (0.37) TRPA1P2RX7DAO
SCHEMBL264737 0.84 MLYCD (0.37) TRPA1P2RX7DAO
SCHEMBL271966 0.84 P2RX7 (0.38) CSF1RNTRK1NTRK2TRPA1P2RX7
SCHEMBL1421794 0.84 LTC4S (0.35) CSF1RNTRK1NTRK2TRPA1QPCT
SCHEMBL263829 0.82 TACR1 (0.37) P2RX7DAOPPARD

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 14 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 claimed
JP-2011524398-A 2011-09-01 JP claimed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
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 CSF1R 707/4885NTRK1 1034/4885NTRK2 1007/4885

“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.