SCHEMBL264010

SCHEMBL264010

CC(C)c1ccc(NCCc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.47
DAO P14920 1/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MCHR1 Q99705 1/20 0.40
PDE2A O00408 1/20 0.38
SMO Q99835 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKB Q96GD4 1/20 0.36
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
SCHEMBL265120 0.82 LMNA (0.43) DAOMCHR1PDE2ANPC1RAB9A
SCHEMBL266347 0.82 DAO (0.42) DAOPDE2ANPC1RAB9AHRH3
SCHEMBL264418 0.78 HRH3 (0.48) DAOMCHR1PDE2ANPC1RAB9A
SCHEMBL264983 0.77 HRH3 (0.43) DAONPC1RAB9AHRH3AURKB
SCHEMBL264416 0.76 DAO (0.41) DAOCNR1CNR2MCHR1PDE2A
SCHEMBL265027 0.76 DAO (0.41) DAOMCHR1PDE2ANPC1RAB9A
SCHEMBL14303885 0.76 HRH3 (0.47) DAOPDE2ANPC1RAB9AHRH3
SCHEMBL263372 0.76 P2RX7 (0.41) DAOCNR1CNR2MCHR1PDE2A
SCHEMBL265917 0.75 KMT2A (0.39) DAOPDE2ANPC1RAB9ATP53
SCHEMBL20662829 0.74 TAS1R3 (0.66) CNR1TAS1R3TAS1R1NPC1RAB9A

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
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

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 PANK3 4601/4885DAO 1311/4885CNR1 14/4885

“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.