SCHEMBL5216029

SCHEMBL5216029

c1ccc(N2CCC(c3nnc(Cn4ccnn4)o3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.47
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL5211585 0.87 AVPR1A (0.47) AVPR1AMAPTTP53
SCHEMBL5006747 0.83 AVPR1A (0.57) AVPR1AMAPTTP53
SCHEMBL5006682 0.82 MAPT (0.52) AVPR1AMAPTTP53KDM4EALDH1A1
SCHEMBL5008978 0.82 AVPR1A (0.53) AVPR1A
SCHEMBL5215082 0.82 AVPR1A (0.50) AVPR1AMAPT
SCHEMBL5006729 0.81 AVPR1A (0.60) AVPR1AMAPTTP53KDM4EALDH1A1
SCHEMBL5215650 0.79 AVPR1A (0.50) AVPR1AMAPT
SCHEMBL5108048 0.79 AVPR1A (0.50) AVPR1A
SCHEMBL5008964 0.78 AVPR1A (0.57) AVPR1AMAPTKDM4EALDH1A1
SCHEMBL5215394 0.77 AVPR1A (0.48) AVPR1AMAPTKDM4EALDH1A1

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 4 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
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
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 3/4885MAPT 3008/4885TP53 2912/4885

“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.