SCHEMBL265120

SCHEMBL265120

CCc1ccc(NCCc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
DAO P14920 1/20 0.40
CXCR4 P61073 1/20 0.40
RORC P51449 1/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MCHR1 Q99705 1/20 0.38
FFAR1 O14842 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PDE2A O00408 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL266347 0.83 DAO (0.42) DAOCCNCCDK8NPC1RAB9A
SCHEMBL264010 0.82 PANK3 (0.47) LMNATP53DAOMCHR1NPC1
SCHEMBL263372 0.80 P2RX7 (0.41) DAOMCHR1FFAR1PDE2A
SCHEMBL264418 0.80 HRH3 (0.48) TP53DAOCCNCCDK8MCHR1
SCHEMBL264983 0.78 HRH3 (0.43) DAONPC1RAB9AHRH3AURKB
SCHEMBL265027 0.77 DAO (0.41) TP53DAOCCNCCDK8MCHR1
SCHEMBL264416 0.77 DAO (0.41) DAOCCNCCDK8MCHR1NPC1
SCHEMBL14303885 0.77 HRH3 (0.47) LMNADAONPC1RAB9AHRH3
SCHEMBL10115954 0.75 DAO (0.50) DAONPC1RAB9APDE2AKDM1A
SCHEMBL29852337 0.75 DAO (0.50) DAONPC1RAB9APDE2AKDM1A

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 10 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
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 LMNA 4560/4885TP53 4852/4885DAO 1311/4885

“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.