SCHEMBL1350641

SCHEMBL1350641

Cc1cccc(N2CC[C@@H](N)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
KMT2A Q03164 1/20 0.54
PIM1 P11309 4/20 0.52
PIM3 Q86V86 4/20 0.52
PIM2 Q9P1W9 4/20 0.52
PRKCQ Q04759 1/20 0.49
HRH4 Q9H3N8 8/20 0.49
HRH3 Q9Y5N1 2/20 0.47
PDE10A Q9Y233 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL1350643 1.00 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7276944 0.90 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11293482 0.89 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17151386 0.85 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31118805 0.82 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21345365 0.81 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7393658 0.81 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21345364 0.81 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7389337 0.81 HTR3E (0.82) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1351418 0.80 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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-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
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
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 (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 HTR3E 860/4885HTR3B 717/4885HTR3A 728/4885

“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.