SCHEMBL264736

SCHEMBL264736

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](O)c2ccc(F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
GRM2 Q14416 3/20 0.37
P2RX7 Q99572 4/20 0.35
DAO P14920 1/20 0.34
VNN1 O95497 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
TRPA1 O75762 3/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL264737 1.00 MLYCD (0.37) MLYCDGRM2P2RX7DAOVNN1
SCHEMBL264221 0.91 MLYCD (0.38) MLYCDP2RX7VNN1KCNH2TSHR
SCHEMBL264220 0.91 MLYCD (0.38) MLYCDP2RX7VNN1KCNH2TSHR
SCHEMBL271966 0.89 P2RX7 (0.38) MLYCDP2RX7DAOTRPA1KCNH2
SCHEMBL265266 0.88 DAO (0.36) MLYCDP2RX7DAOTRPA1
SCHEMBL265265 0.88 DAO (0.36) MLYCDP2RX7DAOTRPA1
SCHEMBL265373 0.84 CSF1R (0.38) P2RX7DAOTRPA1
SCHEMBL265374 0.84 CSF1R (0.38) P2RX7DAOTRPA1
SCHEMBL265047 0.83 TRPV1 (0.37) P2RX7DAOTRPA1
SCHEMBL265048 0.83 TRPV1 (0.37) P2RX7DAOTRPA1

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 MLYCD 3657/4885GRM2 212/4885P2RX7 506/4885

“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.