SCHEMBL3733367

SCHEMBL3733367

CNC(=O)C(N)c1ccc(N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 4/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ROCK2 O75116 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3730724 0.79 LMNA (0.43) ALDH1A1MAPTCNR2KDM4ENPC1
SCHEMBL11348649 0.79 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1MAPTHPGD
SCHEMBL3727820 0.78 HDAC3 (0.48) ALDH1A1KMT2AMEN1HDAC1HDAC6
SCHEMBL3736159 0.78 FFAR2 (0.61) ALDH1A1KMT2AROCK2NPC1MEN1
SCHEMBL20290805 0.78 FFAR2 (0.61) ALDH1A1KMT2AROCK2NPC1MEN1
Hydrochloric Acid SCHEMBL11480914 0.78 KDM4E (0.40) ALDH1A1GAAMAPTHPGDKMT2A
SCHEMBL3638914 0.77 LMNA (0.53) KMT2AROCK2LMNAHDAC1HDAC6
SCHEMBL3743441 0.77 LMNA (0.53) KMT2AROCK2LMNAHDAC1HDAC6
SCHEMBL1515665 0.77 LMNA (0.53) KMT2AROCK2LMNAHDAC1HDAC6
Hydrochloric Acid SCHEMBL14151731 0.76 LMNA (0.51) ALDH1A1KMT2AROCK2LMNAHDAC1

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 6 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
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN 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 ALDH1A1 1610/4885GAA 3859/4885L3MBTL1 3270/4885

“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.