SCHEMBL4590704

SCHEMBL4590704

COc1ccc(C2(N3CCC[C@H]3C(=O)N(C)C)C(=O)Nc3ccc(Cl)cc32)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.58
OXTR P30559 11/20 0.58
AVPR1A P37288 11/20 0.56
AVPR2 P30518 3/20 0.45
GPR65 Q8IYL9 1/20 0.45
BRD4 O60885 2/20 0.39
CBX7 O95931 1/20 0.39
CDYL Q9Y232 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL4590281 0.93 AVPR1B (0.56) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL4589816 0.91 AVPR1B (0.56) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2494928 0.91 AVPR1B (0.56) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2495591 0.90 OXTR (0.50) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL4590690 0.89 OXTR (0.51) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2496335 0.87 AVPR1B (0.48) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7076240 0.87 AVPR1B (0.47) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL4590188 0.87 OXTR (0.49) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL4590243 0.86 OXTR (0.49) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL6172618 0.86 OXTR (0.48) AVPR1BOXTRAVPR1AAVPR2GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 AVPR1B 1/4885OXTR 12/4885AVPR1A 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 AVPR1B 1/4885OXTR 9/4885AVPR1A 3/4885

“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.