SCHEMBL265474

SCHEMBL265474

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@H](N)c2ccc(F)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
P2RX7 Q99572 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 1/20 0.34
GRM2 Q14416 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
MLYCD O95822 1/20 0.33
TRPA1 O75762 3/20 0.33
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
NTRK2 Q16620 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL263635 1.00 DAO (0.36) DAOP2RX7MEN1KMT2APPARD
SCHEMBL263636 1.00 DAO (0.36) DAOP2RX7MEN1KMT2APPARD
SCHEMBL265390 0.92 TACR1 (0.37) DAOP2RX7PPARDMLYCD
SCHEMBL265389 0.92 TACR1 (0.37) DAOP2RX7PPARDMLYCD
Hydrochloric Acid SCHEMBL264156 0.91 TACR1 (0.37) DAOP2RX7PPARDMLYCD
SCHEMBL265265 0.91 DAO (0.36) DAOP2RX7MEN1KMT2APPARD
Hydrochloric Acid SCHEMBL264155 0.91 TACR1 (0.37) DAOP2RX7PPARDMLYCD
SCHEMBL265266 0.91 DAO (0.36) DAOP2RX7MEN1KMT2APPARD
SCHEMBL3645762 0.87 PDE2A (0.38) MEN1KMT2A
SCHEMBL3647718 0.87 PDE2A (0.38) MEN1KMT2A

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 7 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
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN 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 DAO 1311/4885P2RX7 506/4885MEN1 1019/4885

“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.