SCHEMBL5216796

SCHEMBL5216796

CN(CC(=O)OC(C)(C)C)Cc1nnc(C2CCN(c3ccccn3)CC2)o1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
AVPR1A P37288 8/20 0.40
CCR5 P51681 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL5219564 0.87 GPR119 (0.53) GPR119SMN1; SMN2GAATHRBAVPR1A
SCHEMBL5211613 0.84 GPR119 (0.50) GPR119SMN1; SMN2GAATHRBAVPR1A
SCHEMBL5215617 0.81 GPR119 (0.51) GPR119SMN1; SMN2GAATHRBAVPR1A
SCHEMBL5214016 0.79 AVPR1A (0.61) GPR119AVPR1AKCNH2
SCHEMBL5214747 0.77 GPR119 (0.46) GPR119SMN1; SMN2GAATHRBAVPR1A
SCHEMBL5847261 0.75 GPR119 (0.57) GPR119SMN1; SMN2GAATHRBMAPT
SCHEMBL5215077 0.75 GPR119 (0.57) GPR119SMN1; SMN2GAATHRBMAPT
SCHEMBL5094964 0.74 AVPR1A (0.46) AVPR1AKCNH2
SCHEMBL5008978 0.73 AVPR1A (0.53) AVPR1A
SCHEMBL5215082 0.73 AVPR1A (0.50) AVPR1AMAPT

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
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP disclosed
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP disclosed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A GPR119 284/4885SMN1; SMN2 4688/4885GAA 3565/4885

“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.