SCHEMBL3729914

SCHEMBL3729914

NC(=O)c1ccc([CH]CCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
TAAR1 Q96RJ0 1/20 0.44
PDPK1 O15530 1/20 0.43
SRD5A2 P31213 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
P4HB P07237 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NR3C2 P08235 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3732183 0.83 KIF11 (0.60) MAOBTAAR1PDPK1CYP1A2CYP1A1
SCHEMBL3743690 0.83 KIF11 (0.60) MAOBTAAR1PDPK1CYP1A2CYP1A1
SCHEMBL22741224 0.78 CYP1A2 (0.59) MAOBCES2CES1LMNACYP1A2
SCHEMBL22721339 0.78 CYP1A2 (0.59) MAOBCES2CES1LMNACYP1A2
SCHEMBL22721356 0.78 MAOB (0.67) MAOBTAAR1SRD5A2CES2CES1
SCHEMBL3733475 0.78 KIF11 (0.43) MAOBTAAR1HDAC1HDAC8NR3C2
SCHEMBL171651 0.78 CES2 (0.67) MAOBSRD5A2CES2CES1PTPN1
SCHEMBL27769718 0.77 KCNH2 (0.48) MAOBTAAR1
SCHEMBL27769602 0.77 TAAR1 (0.46) MAOBTAAR1CYP1A2CYP1A1CYP1B1
SCHEMBL28784749 0.77 TAAR1 (0.48) MAOBTAAR1PDPK1CYP1A1CYP1B1

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
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 MAOB 716/4885TAAR1 34/4885PDPK1 2854/4885

“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.