SCHEMBL5213181

SCHEMBL5213181

CC(=O)N1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.77
HTR7 P34969 1/20 0.52
AVPR2 P30518 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL5214878 0.87 AVPR1A (0.69) AVPR1AHTR7ALDH1A1HPGD
SCHEMBL5212353 0.86 AVPR1A (0.82) AVPR1A
SCHEMBL5214851 0.85 AVPR1A (0.81) AVPR1A
SCHEMBL5216457 0.85 AVPR1A (0.77) AVPR1AAVPR2KCNH2ALDH1A1HSD17B10
SCHEMBL5215730 0.83 AVPR1A (0.78) AVPR1A
SCHEMBL5218432 0.83 AVPR1A (1.00) AVPR1A
SCHEMBL3105995 0.83 AVPR1A (0.77) AVPR1A
SCHEMBL5216233 0.82 AVPR1A (0.67) AVPR1AHTR7ALDH1A1HPGD
SCHEMBL5845867 0.82 AVPR1A (0.76) AVPR1A
SCHEMBL5212834 0.82 AVPR1A (0.72) AVPR1AALDH1A1

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 claimed
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 AVPR1A 3/4885HTR7 150/4885AVPR2 1/4885

“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.