SCHEMBL5155703

SCHEMBL5155703

O=C(O)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.57
CYP2C9 P11712 2/20 0.50
CYP2J2 P51589 2/20 0.50
CYP2C19 P33261 2/20 0.50
HMOX1 P09601 1/20 0.45
RBP4 P02753 1/20 0.45
KDM4E B2RXH2 1/20 0.39
SCD5 Q86SK9 1/20 0.39
SRD5A1 P18405 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL1739282 0.90 EPHX2 (0.52) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL14590499 0.85 EPHX2 (0.53) EPHX2CYP2C9CYP2J2CYP2C19RBP4
SCHEMBL14413608 0.85 EPHX2 (0.53) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL14408003 0.85 EPHX2 (0.53) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL1740304 0.83 EPHX2 (0.44) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL2775875 0.83 HMOX1 (0.60) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL15808601 0.83 EPHX2 (0.51) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL22174171 0.83 EPHX2 (0.51) EPHX2CYP2C9CYP2J2CYP2C19RBP4
SCHEMBL15808602 0.81 EPHX2 (0.50) EPHX2CYP2C9CYP2J2CYP2C19HMOX1
SCHEMBL5152829 0.81 EPHX2 (0.63) EPHX2RBP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A EPHX2 1357/4885CYP2C9 3062/4885CYP2J2 942/4885

“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.