SCHEMBL4513383

SCHEMBL4513383

C=CCn1c(-c2ccc(Cl)cc2)nn(CC(=O)NC(CC)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.60
AVPR1A P37288 16/20 0.60
GPR139 Q6DWJ6 2/20 0.42
TP53 P04637 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
SCHEMBL4502302 0.93 AVPR2 (0.63) AVPR2AVPR1AGPR139TP53MAPT
SCHEMBL4504170 0.84 AVPR2 (0.57) AVPR2AVPR1ATP53MAPT
SCHEMBL4502032 0.82 AVPR2 (0.58) AVPR2AVPR1ATP53MAPT
SCHEMBL19265090 0.82 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL10217399 0.81 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL19265140 0.81 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL19265167 0.80 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL19265296 0.80 AVPR2 (0.58) AVPR2AVPR1ATP53MAPT
Hydrochloric Acid SCHEMBL3446983 0.80 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL419513 0.80 AVPR2 (0.77) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885GPR139 558/4885

“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.