SCHEMBL1590460

SCHEMBL1590460

CCOc1ncccc1C1(N(C(=O)O)c2ccccc2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.55
AVPR1A P37288 6/20 0.55
OXTR P30559 6/20 0.55
AVPR2 P30518 3/20 0.54
GPR65 Q8IYL9 1/20 0.48

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
SCHEMBL1786304 0.90 AVPR1B (0.63) AVPR1BAVPR1AOXTRAVPR2
SCHEMBL1589023 0.90 AVPR1B (0.46) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL16178114 0.90 AVPR1B (0.63) AVPR1BAVPR1AOXTRAVPR2
SCHEMBL1588385 0.85 AVPR1B (0.50) AVPR1BAVPR1AOXTRAVPR2
SCHEMBL16672308 0.83 AVPR1B (0.57) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL1590457 0.82 AVPR1B (0.61) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL1465192 0.82 AVPR1B (0.64) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL14562638 0.80 AVPR1B (0.64) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL2075631 0.80 AVPR1B (0.64) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL14562640 0.80 AVPR1B (0.64) AVPR1BAVPR1AOXTRAVPR2GPR65

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-20150158845-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES ABBVIE DEUTSCHLAND (DE) 2015-06-11 US disclosed
US-20110092516-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES ABBOTT GMBH & CO. KG 2011-04-21 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 (2 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-20110092516-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885AVPR1A 3/4885OXTR 4/4885
US-20150158845-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885AVPR1A 3/4885OXTR 4/4885

“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.