SCHEMBL1352121

SCHEMBL1352121

N[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.57
DPP4 P27487 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
SYK P43405 2/20 0.53
HRH4 Q9H3N8 6/20 0.48
FFAR4 Q5NUL3 1/20 0.47
ACACB O00763 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
CHRM4 P08173 1/20 0.44
KARS1 Q15046 1/20 0.43
LCAT P04180 1/20 0.43
IDH2 P48735 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL1352123 1.00 ADRB1 (0.57) ADRB1DPP4DPP7SYKHRH4
SCHEMBL5086363 1.00 ADRB1 (0.57) ADRB1DPP4DPP7SYKHRH4
SCHEMBL1350579 0.91 ADRB1 (0.64) ADRB1DPP4DPP7SYKFFAR4
Hydrochloric Acid SCHEMBL2000843 0.90 ADRB1 (0.62) ADRB1DPP4DPP7SYKFFAR4
SCHEMBL4471479 0.88 ADRB1 (0.59) ADRB1DPP4DPP7SYKHRH4
SCHEMBL16282946 0.86 HRH4 (0.52) ADRB1DPP4DPP7SYKHRH4
SCHEMBL22657621 0.83 ADRB1 (0.57) ADRB1DPP4DPP7FFAR4ACACB
SCHEMBL31319979 0.81 HRH4 (0.51) DPP4SYKHRH4HRH3KARS1
SCHEMBL22186753 0.80 HRH4 (0.45) DPP4DPP7SYKHRH4HRH3
Hydrochloric Acid SCHEMBL28603225 0.79 HRH4 (0.44) DPP4DPP7SYKHRH4HRH3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063078-B2 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain GLAXOSMITHKLINE LLC (US) 2011-11-22 US disclosed
EP-2298757-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2011-03-23 EP disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
EP-1425277-B8 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-2036902-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2009-03-18 EP disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO disclosed
EP-1425277-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SmithKline Beecham P.L.C. (GB) 2004-06-09 EP disclosed
WO-2003022809-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 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 (2 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ ADRB1 675/4885DPP4 3198/4885DPP7 3596/4885
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R ADRB1 124/4885DPP4 3195/4885DPP7 3427/4885

“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.