SCHEMBL3733493

SCHEMBL3733493

CNC(=O)C(NC(CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.49
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
MMP2 P08253 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TRPM5 Q9NZQ8 1/20 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
SCHEMBL3733495 1.00 ADRB3 (0.49) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3733507 1.00 ADRB3 (0.49) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3733509 1.00 ADRB3 (0.49) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3733499 1.00 ADRB3 (0.49) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3733506 1.00 ADRB3 (0.49) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3733497 1.00 ADRB3 (0.49) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL14142234 0.96 NPSR1 (0.48) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3732610 0.96 NPSR1 (0.48) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3730276 0.96 NPSR1 (0.48) ADRB3ADRB2ADRB1ALDH1A1CNR1
SCHEMBL3730874 0.96 NPSR1 (0.48) ADRB3ADRB2ADRB1ALDH1A1CNR1

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-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP claimed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US claimed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP claimed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO claimed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US claimed
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
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 ADRB3 145/4885ADRB2 177/4885ADRB1 143/4885

“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.