SCHEMBL1351815

SCHEMBL1351815

NC1CCN(c2ccc(Cl)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
PDE10A Q9Y233 1/20 0.46
HRH4 Q9H3N8 6/20 0.46
CNR2 P34972 1/20 0.46
MCHR1 Q99705 1/20 0.44
HTR3A P46098 2/20 0.43
MAT2A P31153 1/20 0.43
PIM1 P11309 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
MEN1 O00255 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1351813 1.00 PTPN11 (0.47) PTPN11GPR119PDE10AHRH4CNR2
SCHEMBL6947627 0.90 KMT2A (0.53) PTPN11GPR119PDE10ACNR2HTR3A
Hydrochloric Acid SCHEMBL28555801 0.89 KMT2A (0.51) PTPN11GPR119PDE10ACNR2HTR3A
Hydrochloric Acid SCHEMBL1997764 0.89 KMT2A (0.51) PTPN11GPR119PDE10ACNR2HTR3A
Hydrochloric Acid SCHEMBL29769016 0.89 KMT2A (0.51) PTPN11GPR119PDE10ACNR2HTR3A
SCHEMBL10281903 0.82 HRH4 (0.49) PTPN11HRH4MCHR1PIM1
SCHEMBL3637927 0.82 HRH4 (0.49) PTPN11HRH4MCHR1PIM1
SCHEMBL18231724 0.81 GPR119 (0.50) GPR119PDE10ACNR2DRD2DRD4
SCHEMBL23830527 0.81 GPR119 (0.47) PTPN11GPR119HRH4MCHR1PIM1
SCHEMBL14196276 0.81 HRH4 (0.46) PTPN11HRH4MCHR1PIM1

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
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
US-5576320-A 1-heteruarylazetidines and -pyrrolidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-11-19 US disclosed
US-5565474-A 1-heteroarylazetidines and -pyrrolidines process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-10-15 US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 US disclosed
EP-0591030-A2 1-Heteroaryl-azetidines and -pyrrolidines as 5-HT3 agonists SANOFI (FR) 1994-04-06 EP 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 PTPN11 1631/4885GPR119 447/4885PDE10A 371/4885

“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.