SCHEMBL4590690

SCHEMBL4590690

COc1ccc(C2(N3CCC[C@H]3C(=O)N(C)C)C(=O)Nc3ccc(Cl)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.51
AVPR1B P47901 8/20 0.51
AVPR1A P37288 7/20 0.51
BRD4 O60885 2/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EP300 Q09472 3/20 0.39
CREBBP Q92793 3/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CCR1 P32246 1/20 0.39
AVPR2 P30518 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
CBX7 O95931 1/20 0.38
CDYL Q9Y232 1/20 0.38
GHSR Q92847 2/20 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
SCHEMBL7076240 0.93 AVPR1B (0.47) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4590243 0.91 OXTR (0.49) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4590281 0.89 AVPR1B (0.56) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4590704 0.89 AVPR1B (0.58) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL2497803 0.88 BRD4 (0.46) OXTRAVPR1BAVPR1ABRD4ADAMTS5
SCHEMBL2499968 0.86 BRD4 (0.49) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL2494928 0.86 AVPR1B (0.56) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4589816 0.86 AVPR1B (0.56) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4590188 0.86 OXTR (0.49) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL2495591 0.85 OXTR (0.50) OXTRAVPR1BAVPR1ABRD4MEN1

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-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
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 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

“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.