SCHEMBL5215730

SCHEMBL5215730

c1ccc(Cn2c(CN3CCNCC3)nnc2C2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.78
PLD1 Q13393 1/20 0.49
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL5212353 0.90 AVPR1A (0.82) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5214851 0.89 AVPR1A (0.81) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5218432 0.88 AVPR1A (1.00) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL3105995 0.85 AVPR1A (0.77) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5215427 0.84 AVPR1A (1.00) AVPR1A
SCHEMBL5212834 0.84 AVPR1A (0.72) AVPR1A
SCHEMBL5845867 0.84 AVPR1A (0.76) AVPR1A
SCHEMBL5212432 0.84 AVPR1A (0.76) AVPR1A
SCHEMBL5216457 0.83 AVPR1A (0.77) AVPR1AMAPT
SCHEMBL5213181 0.83 AVPR1A (0.77) 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 6 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

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 3/4885PLD1 1453/4885NPC1 2137/4885

“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.