SCHEMBL1350899

SCHEMBL1350899

Cc1cccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.58
NOTUM Q6P988 1/20 0.54
PIM1 P11309 1/20 0.52
PIM3 Q86V86 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
SUV39H2 Q9H5I1 8/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CTSK P43235 2/20 0.48
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
NPY5R Q15761 1/20 0.46
PDE10A Q9Y233 1/20 0.46
ACACB O00763 1/20 0.45
SYK P43405 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
SCHEMBL1350901 1.00 GPR119 (0.58) GPR119NOTUMPIM1PIM3PIM2
SCHEMBL6559433 1.00 GPR119 (0.58) GPR119NOTUMPIM1PIM3PIM2
SCHEMBL32665586 0.88 MTNR1A (0.50) GPR119PIM1PIM3PIM2SUV39H2
SCHEMBL32665576 0.88 MTNR1A (0.50) GPR119PIM1PIM3PIM2SUV39H2
SCHEMBL1800785 0.88 SUV39H2 (0.54) NOTUMPIM1PIM3PIM2SUV39H2
SCHEMBL23510809 0.87 MTNR1A (0.49) GPR119NOTUMPIM1PIM3PIM2
SCHEMBL1352103 0.87 MTNR1A (0.49) PIM1PIM3PIM2SUV39H2MTNR1A
SCHEMBL6557127 0.87 MTNR1A (0.49) PIM1PIM3PIM2SUV39H2MTNR1A
SCHEMBL8049478 0.87 MTNR1A (0.66) PIM1PIM3PIM2SUV39H2MTNR1A
SCHEMBL6557540 0.87 MTNR1A (0.49) PIM1PIM3PIM2SUV39H2MTNR1A

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 GPR119 447/4885NOTUM 2509/4885PIM1 3327/4885

“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.