SCHEMBL5355344

SCHEMBL5355344

COc1cc2c(cc1Cl)C(c1ccccc1Cl)(N1C[C@H](OC)C[C@H]1C(=O)N(C)C)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.42
AVPR1B P47901 6/20 0.42
OXTR P30559 5/20 0.42
AVPR2 P30518 4/20 0.42
GPR65 Q8IYL9 1/20 0.42
AKR1B1 P15121 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 4/20 0.33
BRD4 O60885 2/20 0.32
CD274 Q9NZQ7 1/20 0.32
MDM2 Q00987 1/20 0.31
BIRC2 Q13490 1/20 0.31

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
SCHEMBL5350850 0.87 AVPR1A (0.46) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5352983 0.86 AVPR1A (0.44) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL4590303 0.84 OXTR (0.43) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL6583709 0.83 POLB (0.35) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5353210 0.81 AVPR1A (0.43) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5351762 0.81 AVPR1A (0.55) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5357387 0.81 AVPR1A (0.47) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5356724 0.80 AVPR1A (0.54) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5357611 0.78 AVPR1A (0.42) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5349505 0.78 AVPR1B (0.67) AVPR1AAVPR1BOXTRAVPR2GPR65

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 AVPR1A 2/4885AVPR1B 1/4885OXTR 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 AVPR1A 3/4885AVPR1B 2/4885OXTR 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 AVPR1A 3/4885AVPR1B 1/4885OXTR 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.