SCHEMBL271966

SCHEMBL271966

CC(C)c1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
CYP3A4 P08684 1/20 0.37
MLYCD O95822 1/20 0.36
DAO P14920 1/20 0.35
TRPA1 O75762 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1H O95180 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33
DGAT2 Q96PD7 2/20 0.33
EP300 Q09472 1/20 0.33
CACNA1G O43497 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 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 0.89 MLYCD (0.37) P2RX7MLYCDDAOTRPA1KCNH2
SCHEMBL264736 0.89 MLYCD (0.37) P2RX7MLYCDDAOTRPA1KCNH2
SCHEMBL265266 0.88 DAO (0.36) P2RX7MLYCDDAOTRPA1MEN1
SCHEMBL265265 0.88 DAO (0.36) P2RX7MLYCDDAOTRPA1MEN1
SCHEMBL271723 0.86 CYP3A4 (0.36) P2RX7CYP3A4MLYCDDAOMEN1
SCHEMBL265048 0.84 TRPV1 (0.37) P2RX7DAOTRPA1MEN1KMT2A
SCHEMBL265047 0.84 TRPV1 (0.37) P2RX7DAOTRPA1MEN1KMT2A
SCHEMBL265374 0.84 CSF1R (0.38) P2RX7DAOTRPA1MEN1KMT2A
SCHEMBL265373 0.84 CSF1R (0.38) P2RX7DAOTRPA1MEN1KMT2A
SCHEMBL271533 0.83 TRPV1 (0.38) P2RX7DAOTRPA1MEN1KMT2A

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 P2RX7 506/4885CYP3A4 1262/4885MLYCD 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.