SCHEMBL3729934

SCHEMBL3729934

CNC(=O)[C@@H](N[C@H](CCc1ccc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.41
MAPT P10636 2/20 0.40
S1PR3 Q99500 2/20 0.40
F11 P03951 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTR1E P28566 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL3740264 1.00 PDE4A (0.41) PDE4AMAPTS1PR3F11MEN1
SCHEMBL3740262 1.00 PDE4A (0.41) PDE4AMAPTS1PR3F11MEN1
SCHEMBL3729936 1.00 PDE4A (0.41) PDE4AMAPTS1PR3F11MEN1
SCHEMBL8163159 0.91 F11 (0.37) PDE4AMAPTS1PR3F11MEN1
SCHEMBL3732968 0.90 MAPT (0.39) PDE4AMAPTS1PR3MEN1ALDH1A1
SCHEMBL3732971 0.90 MAPT (0.39) PDE4AMAPTS1PR3MEN1ALDH1A1
SCHEMBL3740389 0.89 F11 (0.39) PDE4AMAPTS1PR3F11MEN1
SCHEMBL3740700 0.89 PDE4A (0.39) PDE4AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3743304 0.88 PDE4A (0.39) PDE4AMAPTS1PR3MEN1ALDH1A1
SCHEMBL3736664 0.86 ADRB2 (0.41) PDE4AMAPTS1PR3MEN1ALDH1A1

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 PDE4A 2570/4885MAPT 2958/4885S1PR3 339/4885

“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.