SCHEMBL5212464

SCHEMBL5212464

COc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 18/20 0.78
HTR1A P08908 2/20 0.53
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL5219249 0.88 AVPR1A (1.00) AVPR1A
SCHEMBL5215914 0.86 AVPR1A (1.00) AVPR1A
SCHEMBL5215659 0.86 AVPR1A (1.00) AVPR1A
SCHEMBL5216020 0.80 AVPR1A (0.83) AVPR1A
SCHEMBL5002681 0.78 AVPR1A (0.74) AVPR1A
SCHEMBL5006731 0.77 AVPR1A (1.00) AVPR1A
SCHEMBL5213594 0.76 AVPR1A (0.78) AVPR1A
SCHEMBL5215700 0.75 AVPR1A (0.78) AVPR1A
SCHEMBL5214135 0.75 AVPR1A (0.77) AVPR1A
SCHEMBL5214745 0.74 AVPR1A (0.62) AVPR1A

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 9 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
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US 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 3/4885HTR1A 91/4885ADRA1D 6/4885

“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.