SCHEMBL3739840

SCHEMBL3739840

COc1cccc(C(N)CCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
OPRK1 P41145 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
AOC3 Q16853 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
TACR1 P25103 1/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL3730922 0.84 MEN1 (0.60) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL3732187 0.84 MEN1 (0.60) MEN1KMT2ASMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL3734803 0.83 MEN1 (0.59) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL3732696 0.81 PPARA (0.47) CASRMEN1KMT2AKDM4ETAAR1
SCHEMBL3738246 0.79 TACR1 (0.50) TAAR1TACR1MAOB
Hydrochloric Acid SCHEMBL3746416 0.78 TACR1 (0.49) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL4511086 0.77 AOC3 (0.50) CASRL3MBTL1AOC3TAAR1
SCHEMBL4428027 0.77 CASR (0.48) CASRMEN1KMT2AOPRK1NPSR1
SCHEMBL15130900 0.76 CASR (0.63) CASRMEN1KMT2AOPRK1SMN1; SMN2
SCHEMBL11080613 0.76 TAAR1 (0.51) CASRL3MBTL1AOC3TAAR1MAOB

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 3 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
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 CASR 1450/4885MEN1 1772/4885KMT2A 364/4885

“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.