SCHEMBL265386

SCHEMBL265386

Cn1ccc2ccc(NCCc3ccc(C(F)(F)F)cn3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
PDE2A O00408 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PTK2 Q05397 1/20 0.38
PTK2B Q14289 1/20 0.38
CHRNA7 P36544 1/20 0.37
QPCT Q16769 1/20 0.37
AURKB Q96GD4 1/20 0.36
MCHR1 Q99705 2/20 0.36
GRM4 Q14833 1/20 0.36
KCNH2 Q12809 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34
EGFR P00533 1/20 0.34
SCN9A Q15858 1/20 0.34
CCNC P24863 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
SCHEMBL264418 0.77 HRH3 (0.48) DAOPDE2AAURKBMCHR1ALDH1A1
SCHEMBL265027 0.75 DAO (0.41) DAOPDE2AAURKBMCHR1ALDH1A1
SCHEMBL264416 0.75 DAO (0.41) DAOPDE2AHDAC1HDAC8HDAC6
SCHEMBL265120 0.73 LMNA (0.43) DAOPDE2AAURKBMCHR1CCNC
SCHEMBL266347 0.72 DAO (0.42) DAOPDE2AAURKBCCNCCDK8
SCHEMBL265167 0.72 TSHR (0.39) DAOHDAC1HDAC6AURKBGRM4
SCHEMBL264996 0.72 TSHR (0.39) DAOHDAC1HDAC6ALDH1A1MAPT
SCHEMBL263372 0.72 P2RX7 (0.41) DAOPDE2AMCHR1
SCHEMBL264010 0.72 PANK3 (0.47) DAOPDE2AAURKBMCHR1MAPT
SCHEMBL265365 0.72 GABRG2 (0.42) DAOHDAC1HDAC6

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
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP 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
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
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 DAO 1311/4885PDE2A 4609/4885HDAC1 426/4885

“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.