SCHEMBL5214745

SCHEMBL5214745

Cc1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.62
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
HSD17B10 Q99714 1/20 0.58
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
PDE1C Q14123 2/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 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
SCHEMBL5213594 0.89 AVPR1A (0.78) AVPR1AKMT2AALDH1A1MEN1HSD17B10
SCHEMBL5215700 0.86 AVPR1A (0.78) AVPR1AALDH1A1
SCHEMBL5219249 0.77 AVPR1A (1.00) AVPR1AALDH1A1
SCHEMBL5215088 0.76 AVPR1A (0.60) AVPR1AKDM4E
SCHEMBL5213234 0.76 AVPR1A (0.67) AVPR1AKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL5213482 0.76 AVPR1A (0.62) AVPR1AALDH1A1HSD17B10KDM4E
SCHEMBL5216020 0.76 AVPR1A (0.83) AVPR1AKMT2AMEN1
SCHEMBL5215659 0.75 AVPR1A (1.00) AVPR1A
SCHEMBL5215914 0.74 AVPR1A (1.00) AVPR1A
SCHEMBL5212464 0.74 AVPR1A (0.78) 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 13 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
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 (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 3/4885KMT2A 4439/4885ALDH1A1 704/4885

“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.