SCHEMBL265169

SCHEMBL265169

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)CBr)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DAO P14920 1/20 0.38
PPARD Q03181 1/20 0.37
P2RX7 Q99572 2/20 0.35
TKT P29401 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
SCN9A Q15858 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 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
SCHEMBL13574525 0.89 ALDH1A1 (0.38) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL265073 0.87 MEN1 (0.40) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3648296 0.83 NPC1 (0.42) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL264589 0.82 MRGPRX4 (0.39) NPC1RAB9ADAOPPARDP2RX7
SCHEMBL265595 0.82 P2RX7 (0.39) ALDH1A1DAOPPARDP2RX7KCNQ3
SCHEMBL1425273 0.81 DAO (0.34) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL264669 0.81 PPARD (0.38) NPC1RAB9ASMN1; SMN2DAOPPARD
SCHEMBL264668 0.81 PPARD (0.38) NPC1RAB9ASMN1; SMN2DAOPPARD
SCHEMBL264667 0.81 PPARD (0.38) NPC1RAB9ASMN1; SMN2DAOPPARD
SCHEMBL265835 0.80 TACR1 (0.37) ALDH1A1DAOPPARDP2RX7KCNH2

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 9 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
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
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 NPC1 1723/4885ALDH1A1 1706/4885LMNA 4560/4885

“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.