SCHEMBL2495591

SCHEMBL2495591

COc1ccccc1C1(N2CCC[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 9/20 0.50
AVPR1B P47901 9/20 0.50
AVPR1A P37288 8/20 0.50
AVPR2 P30518 2/20 0.46
GPR65 Q8IYL9 1/20 0.46
BRD4 O60885 2/20 0.43
ACHE P22303 2/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
CASP3 P42574 1/20 0.37

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
SCHEMBL2496335 0.97 AVPR1B (0.48) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL2500309 0.95 AVPR1B (0.47) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL6172618 0.92 OXTR (0.48) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL4590188 0.92 OXTR (0.49) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL4590101 0.91 OXTR (0.45) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL7082059 0.90 OXTR (0.41) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL4590186 0.90 OXTR (0.44) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL4590696 0.90 BRD4 (0.47) OXTRAVPR1BAVPR1ABRD4ACHE
SCHEMBL4590498 0.90 OXTR (0.43) OXTRAVPR1BAVPR1AAVPR2GPR65
SCHEMBL4590281 0.90 AVPR1B (0.56) OXTRAVPR1BAVPR1AAVPR2GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
EP-1296976-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2005-01-26 EP disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US disclosed
EP-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 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 (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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 OXTR 12/4885AVPR1B 1/4885AVPR1A 2/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A OXTR 9/4885AVPR1B 1/4885AVPR1A 3/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 OXTR 37/4885AVPR1B 1/4885AVPR1A 2/4885

“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.