SCHEMBL5214733

SCHEMBL5214733

CCCc1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.70
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5212360 0.93 AVPR1A (0.80) AVPR1AALDH1A1KDM4E
SCHEMBL5213482 0.85 AVPR1A (0.62) AVPR1AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL5212430 0.85 AVPR1A (0.57) AVPR1AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL5215700 0.83 AVPR1A (0.78) AVPR1AALDH1A1TSHR
SCHEMBL5214915 0.82 AVPR1A (1.00) AVPR1A
SCHEMBL5213359 0.80 AVPR1A (0.60) AVPR1AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL5211995 0.79 AVPR1A (0.57) AVPR1AALDH1A1KDM4E
SCHEMBL5214940 0.78 AVPR1A (0.56) AVPR1AKDM4E
SCHEMBL5211759 0.78 AVPR1A (0.58) AVPR1AALDH1A1
SCHEMBL5211898 0.77 AVPR1A (0.73) 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 14 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
EP-1656183-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION Pfizer Limited (GB) 2006-05-17 EP 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
WO-2005006899-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2005-01-27 WO 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 (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 3/4885ALDH1A1 704/4885KDM4E 4654/4885
US-20050026810-A1 Treatment of male sexual dysfunction AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885ALDH1A1 1905/4885KDM4E 1838/4885

“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.