SCHEMBL4590243

SCHEMBL4590243

COc1cccc(C2(N3CCC[C@H]3C(=O)N(C)C)C(=O)Nc3ccc(Cl)cc32)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.49
AVPR1B P47901 8/20 0.49
AVPR1A P37288 7/20 0.49
BRD4 O60885 4/20 0.46
CBX7 O95931 1/20 0.44
CDYL Q9Y232 1/20 0.44
TP53 P04637 2/20 0.40
MDM2 Q00987 2/20 0.40
AVPR2 P30518 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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 0.92 AVPR1B (0.47) OXTRAVPR1BAVPR1ABRD4CBX7
SCHEMBL4590690 0.91 OXTR (0.51) OXTRAVPR1BAVPR1ABRD4CBX7
SCHEMBL2495322 0.88 BRD4 (0.46) OXTRAVPR1BAVPR1ABRD4
SCHEMBL4590188 0.87 OXTR (0.49) OXTRAVPR1BAVPR1ABRD4CBX7
SCHEMBL4590281 0.86 AVPR1B (0.56) OXTRAVPR1BAVPR1ABRD4CBX7
SCHEMBL4590704 0.86 AVPR1B (0.58) OXTRAVPR1BAVPR1ABRD4CBX7
SCHEMBL2499968 0.86 BRD4 (0.49) OXTRAVPR1BAVPR1ABRD4MDM2
SCHEMBL2492934 0.86 AVPR1A (0.53) OXTRAVPR1BAVPR1ABRD4CBX7
SCHEMBL2495591 0.84 OXTR (0.50) OXTRAVPR1BAVPR1ABRD4AVPR2
SCHEMBL2494928 0.84 AVPR1B (0.56) OXTRAVPR1BAVPR1ABRD4CBX7

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 10 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-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP 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
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP 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.