SCHEMBL5214016

SCHEMBL5214016

CN(CC(=O)OC(C)(C)C)Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 18/20 0.61
GPR119 Q8TDV5 1/20 0.46
AVPR2 P30518 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL5216694 0.85 AVPR1A (0.79) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5216708 0.82 AVPR1A (0.64) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5211960 0.81 AVPR1A (0.65) AVPR1A
SCHEMBL5211847 0.79 AVPR1A (0.64) AVPR1A
SCHEMBL5216796 0.79 GPR119 (0.48) AVPR1AGPR119KCNH2
SCHEMBL5215290 0.78 AVPR1A (0.68) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5216077 0.77 AVPR1A (0.58) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5847350 0.77 AVPR1A (0.58) AVPR1AGPR119AVPR2KCNH2
SCHEMBL5845867 0.77 AVPR1A (0.76) AVPR1A
SCHEMBL14463662 0.76 AVPR1A (0.79) AVPR1AGPR119AVPR2KCNH2

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 13 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 claimed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US claimed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP claimed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US claimed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO claimed
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 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-20050026810-A1 Treatment of male sexual dysfunction PFIZER INC. 2005-02-03 US 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 (2 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 AVPR1A 3/4885GPR119 284/4885AVPR2 1/4885
US-20050026810-A1 Treatment of male sexual dysfunction AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885GPR119 306/4885AVPR2 3/4885

“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.