SCHEMBL5006729

SCHEMBL5006729

c1ccc(N2CCC(c3nnc(CN4CCOCC4)o3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.60
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
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
SCHEMBL5006682 0.90 MAPT (0.52) AVPR1AMAPTTP53KDM4EALDH1A1
SCHEMBL5219433 0.85 AVPR1A (0.49) AVPR1A
SCHEMBL5215034 0.85 MAPT (0.64) AVPR1AMAPTTP53KDM4EALDH1A1
SCHEMBL5216250 0.84 AVPR1A (0.48) AVPR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5006747 0.84 AVPR1A (0.57) AVPR1AMAPTTP53
SCHEMBL5008978 0.82 AVPR1A (0.53) AVPR1A
SCHEMBL5215082 0.82 AVPR1A (0.50) AVPR1AMAPT
SCHEMBL5216029 0.81 AVPR1A (0.47) AVPR1AMAPTTP53KDM4EALDH1A1
SCHEMBL5211585 0.81 AVPR1A (0.47) AVPR1AMAPTTP53
SCHEMBL5108048 0.80 AVPR1A (0.50) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449462-B2 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER, INC. (US) 2008-11-11 US disclosed
US-7449462-B2 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER, INC. (US) 2008-11-11 US disclosed
US-7449462-B2 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER, INC. (US) 2008-11-11 US disclosed
US-20070203132-A1 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER INC 2007-08-30 US disclosed
US-20070203132-A1 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER INC 2007-08-30 US disclosed
US-20070203132-A1 Triazole derivatives which inhibit vasopressin antagonistic activity PFIZER INC 2007-08-30 US disclosed
EP-1708718-A1 TRIAZOLE DERIVATIVES WHICH INHIBIT VASOPRESSIN ANTAGONISTIC ACTIVITY Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005079808-A1 TRIAZOLE DERIVATIVES WHICH INHIBIT VASOPRESSIN ANTAGONISTIC ACTIVITY PFIZER LIMITED (GB) 2005-09-01 WO disclosed
WO-2005079808-A1 TRIAZOLE DERIVATIVES WHICH INHIBIT VASOPRESSIN ANTAGONISTIC ACTIVITY PFIZER LIMITED (GB) 2005-09-01 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-20070203132-A1 Triazole derivatives which inhibit vasopressin antagonistic activity AVPR2, PRLHR, AVPR1A AVPR1A 3/4885MAPT 4597/4885TP53 4301/4885

“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.