SCHEMBL3736664

SCHEMBL3736664

CNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)nc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
HTT P42858 1/20 0.39
S1PR3 Q99500 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 12/20 0.38
HAT1 O14929 2/20 0.38
EP300 Q09472 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL3736666 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3732968 0.89 MAPT (0.39) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3732971 0.89 MAPT (0.39) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3743924 0.88 PDE4A (0.41) ADRB2ADRB1ADRB3PDE4AEP300
SCHEMBL3740264 0.86 PDE4A (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3729934 0.86 PDE4A (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3729936 0.86 PDE4A (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3740262 0.86 PDE4A (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3735983 0.83 EP300 (0.41) MEN1KMT2AALDH1A1LMNAS1PR3
SCHEMBL3736314 0.83 EP300 (0.41) MEN1KMT2AALDH1A1LMNAS1PR3

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 claimed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US 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
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 ADRB2 177/4885ADRB1 143/4885ADRB3 145/4885

“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.