SCHEMBL1352308

SCHEMBL1352308

N[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
DPP9 Q86TI2 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
PRKCQ Q04759 2/20 0.52
HTR3E A5X5Y0 1/20 0.50
MEN1 O00255 1/20 0.50
HTR3B O95264 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR3A P46098 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
GRIN2B Q13224 3/20 0.48
HRH4 Q9H3N8 2/20 0.47
ACACB O00763 9/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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 1.00 DPP4 (0.54) DPP4DPP9DPP7PRKCQHTR3E
SCHEMBL1351805 0.91 HTR3E (0.60) DPP4DPP9DPP7PRKCQHTR3E
Hydrochloric Acid SCHEMBL5220893 0.90 HTR3E (0.59) DPP4DPP9DPP7PRKCQHTR3E
SCHEMBL4483176 0.88 GRIN2B (0.56) DPP4DPP9DPP7HTR3EMEN1
SCHEMBL30582911 0.84 HRH3 (0.52) DPP4DPP9DPP7HTR3EMEN1
SCHEMBL22657435 0.82 DPP4 (0.48) DPP4DPP9DPP7GRIN2BACACB
SCHEMBL4322431 0.82 CCR2 (0.53) DPP4DPP9DPP7PRKCQHTR3E
SCHEMBL13059660 0.79 PRKCQ (0.54) DPP4DPP9DPP7PRKCQHTR3E
SCHEMBL21624792 0.79 HRH4 (0.47) HRH4HRH3
SCHEMBL21624791 0.79 HRH4 (0.47) HRH4HRH3

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 2 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
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 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-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R DPP4 3195/4885DPP9 3285/4885DPP7 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.