SCHEMBL4483176

SCHEMBL4483176

NC1CN(c2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.56
ACACB O00763 6/20 0.47
DPP4 P27487 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
GRM4 Q14833 1/20 0.42
FFAR1 O14842 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
MEN1 O00255 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR3A P46098 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1352309 0.88 DPP4 (0.54) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL1352308 0.88 DPP4 (0.54) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL7395229 0.84 GRIN2B (0.53) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL1351805 0.84 HTR3E (0.60) GRIN2BACACBDPP4DPP9DPP7
Hydrochloric Acid SCHEMBL5220893 0.83 HTR3E (0.59) GRIN2BACACBDPP4DPP9DPP7
Hydrochloric Acid SCHEMBL9005361 0.83 GRIN2B (0.52) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL25154530 0.81 GRIN2B (0.60) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL31381287 0.80 GRIN2B (0.53) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL65166 0.80 GRIN2B (0.53) GRIN2BACACBDPP4DPP9DPP7
SCHEMBL16497829 0.80 GRIN2B (0.53) GRIN2BACACBDPP4DPP9DPP7

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 GRIN2B 1191/4885ACACB 4799/4885DPP4 3748/4885

“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.