SCHEMBL5008964

SCHEMBL5008964

CCCCc1nnc(C2CCN(c3ccccn3)CC2)o1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.57
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 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
SCHEMBL14464208 0.84 AVPR1A (0.48) AVPR1AKDM4EALDH1A1MAPT
SCHEMBL5215082 0.83 AVPR1A (0.50) AVPR1AMAPT
SCHEMBL5008978 0.83 AVPR1A (0.53) AVPR1A
SCHEMBL5215394 0.83 AVPR1A (0.48) AVPR1AKDM4EALDH1A1MAPT
SCHEMBL5213443 0.83 AVPR1A (0.58) AVPR1A
SCHEMBL5108048 0.83 AVPR1A (0.50) AVPR1A
SCHEMBL5215650 0.83 AVPR1A (0.50) AVPR1AMAPT
SCHEMBL5006747 0.81 AVPR1A (0.57) AVPR1AMAPT
SCHEMBL5211585 0.80 AVPR1A (0.47) AVPR1AMAPT
SCHEMBL5006682 0.80 MAPT (0.52) AVPR1AKMT2AKDM4EALDH1A1MAPT

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 7 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-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 3/4885MEN1 1010/4885KMT2A 3044/4885

“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.