SCHEMBL5352786

SCHEMBL5352786

CCO[C@@H]1C[C@@H](C(=O)N(C)C)N(C2(c3ccccc3OC)C(=O)Nc3ccc(Cl)cc32)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.51
AVPR1A P37288 11/20 0.51
OXTR P30559 11/20 0.51
AVPR2 P30518 3/20 0.51
GPR65 Q8IYL9 1/20 0.51
ACHE P22303 3/20 0.36
CBX7 O95931 1/20 0.35
CDYL Q9Y232 1/20 0.35
ADCY8 P40145 1/20 0.35
MDM2 Q00987 1/20 0.34

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
SCHEMBL5356045 0.92 AVPR1B (0.50) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5366688 0.88 AVPR1A (0.62) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL1465619 0.88 AVPR1A (0.62) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL2499389 0.87 AVPR1A (0.52) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL2500497 0.87 AVPR1A (0.52) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL2499338 0.87 AVPR1A (0.52) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL4479387 0.87 AVPR1A (0.52) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5357387 0.85 AVPR1A (0.47) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5347421 0.84 AVPR1A (0.52) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5355593 0.83 AVPR1B (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297692-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2007-11-20 US disclosed
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-01-04 US disclosed
US-7129240-B2 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2006-10-31 US disclosed
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI (FR) 2004-10-21 US disclosed
US-6730695-B2 TREATMENT OF HYPERTENSION, CENTRAL NERVOUS SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 2004-05-04 US disclosed
US-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors SANOFI (FR) 2003-06-19 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 (3 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-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors AVPR1B, AVPR1A, AVPR2 AVPR1B 1/4885AVPR1A 2/4885OXTR 7/4885
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885AVPR1A 3/4885OXTR 16/4885
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVPR1B, AVPR2, AVPR1A AVPR1B 1/4885AVPR1A 3/4885OXTR 6/4885

“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.