SCHEMBL4471479

SCHEMBL4471479

NC1CN(c2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.59
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
ACACB O00763 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45
FFAR1 O14842 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SYK P43405 2/20 0.42
MAPT P10636 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP17A1 P05093 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40

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
SCHEMBL5086363 0.88 ADRB1 (0.57) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL1352121 0.88 ADRB1 (0.57) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL1352123 0.88 ADRB1 (0.57) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL1350579 0.84 ADRB1 (0.64) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL19959073 0.84 HRH4 (0.44) ADRB1DPP4DPP7ACACBFFAR1
Hydrochloric Acid SCHEMBL2000843 0.83 ADRB1 (0.62) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL25154297 0.81 ADRB1 (0.56) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL15282599 0.80 ADRB1 (0.58) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL18176129 0.78 ADRB1 (0.73) ADRB1DPP4DPP7NOS3NOS2
SCHEMBL7953244 0.78 ADRB1 (0.59) ADRB1DPP4DPP7NOS3NOS2

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
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US claimed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP claimed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO claimed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US disclosed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO 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-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain TRPV1, UTS2R, OPRL1 ADRB1 103/4885DPP4 3748/4885DPP7 3741/4885

“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.