SCHEMBL3736074

SCHEMBL3736074

COc1ccc(CCC(N)c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
FABP4 P15090 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DAO P14920 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3732187 0.80 MEN1 (0.60) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3730922 0.80 MEN1 (0.60) CYP1A2CYP2D6CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL3734803 0.79 MEN1 (0.59) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3733476 0.78 KDR (0.43) MEN1KMT2ATAAR1SMN1; SMN2BACE1
SCHEMBL4435568 0.77 KMT2A (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL15157216 0.77 TRPV4 (0.42) DAO
SCHEMBL3735109 0.76 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL996950 0.74 TRPV4 (0.42) DAO
SCHEMBL997506 0.74 TRPV4 (0.42) DAO
SCHEMBL996951 0.74 TRPV4 (0.42) DAO

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 CYP1A2 1026/4885CYP2D6 2773/4885CYP2C19 2235/4885

“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.