SCHEMBL3740700

SCHEMBL3740700

CNC(=O)C(NC(CCc1ccc(C(F)(F)F)cn1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.39
FFAR1 O14842 1/20 0.38
KCNH2 Q12809 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3738382 0.90 FFAR1 (0.39) PDE4AFFAR1KCNH2ADRB2ADRB1
SCHEMBL3740262 0.89 PDE4A (0.41) PDE4AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3740264 0.89 PDE4A (0.41) PDE4AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3729936 0.89 PDE4A (0.41) PDE4AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3729934 0.89 PDE4A (0.41) PDE4AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3728384 0.88 ADRB3 (0.44) PDE4AFFAR1ADRB2ADRB1ADRB3
SCHEMBL3728385 0.88 ADRB3 (0.44) PDE4AFFAR1ADRB2ADRB1ADRB3
SCHEMBL3740910 0.88 ADRB3 (0.44) PDE4AFFAR1ADRB2ADRB1ADRB3
SCHEMBL3740911 0.88 ADRB3 (0.44) PDE4AFFAR1ADRB2ADRB1ADRB3
SCHEMBL3743304 0.85 PDE4A (0.39) PDE4AADRB2ADRB1ADRB3

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 7 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-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US 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
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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 2570/4885FFAR1 189/4885KCNH2 2527/4885

“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.