SCHEMBL5216561

SCHEMBL5216561

c1ccc(Cn2c(COc3ccncc3)nnc2C2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 18/20 0.74
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5694614 0.90 AVPR1A (0.62) AVPR1AHTTNPC1MAPTRAB9A
SCHEMBL5211608 0.87 AVPR1A (0.84) AVPR1AHTTNPC1MAPTRAB9A
SCHEMBL5215810 0.85 AVPR1A (1.00) AVPR1AHTTNPC1MAPTRAB9A
SCHEMBL5216539 0.84 AVPR1A (0.78) AVPR1AHTTNPC1MAPTRAB9A
SCHEMBL5212432 0.84 AVPR1A (0.76) AVPR1A
SCHEMBL5845867 0.84 AVPR1A (0.76) AVPR1A
SCHEMBL5214414 0.83 AVPR1A (0.80) AVPR1AHTTNPC1MAPTRAB9A
SCHEMBL5215427 0.82 AVPR1A (1.00) AVPR1A
SCHEMBL5212353 0.82 AVPR1A (0.82) AVPR1AHTTNPC1MAPTRAB9A
SCHEMBL5214851 0.81 AVPR1A (0.81) AVPR1AHTTNPC1MAPTRAB9A

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 11 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-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US 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
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 3/4885HTT 2882/4885NPC1 2137/4885
US-20050026810-A1 Treatment of male sexual dysfunction AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885HTT 2394/4885NPC1 2200/4885

“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.