SCHEMBL4589567

SCHEMBL4589567

CN(C)C(=O)[C@@H]1CCCN1C1(c2cccc3c2OCO3)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.40
AVPR1B P47901 8/20 0.40
AVPR1A P37288 7/20 0.40
BRD4 O60885 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP3 P42574 1/20 0.35
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ACHE P22303 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
IDO1 P14902 1/20 0.32
AVPR2 P30518 1/20 0.32
GPR65 Q8IYL9 1/20 0.32

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
SCHEMBL2494027 0.87 AVPR1A (0.44) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL2497606 0.86 AVPR1A (0.36) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL6585126 0.85 GSK3A (0.35) OXTRAVPR1BAVPR1AMEN1KMT2A
SCHEMBL2498955 0.84 OXTR (0.39) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4588564 0.83 OXTR (0.43) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL2495591 0.81 OXTR (0.50) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL6172618 0.81 OXTR (0.48) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL4590188 0.80 OXTR (0.49) OXTRAVPR1BAVPR1ABRD4MEN1
SCHEMBL2495051 0.80 AVPR1A (0.42) OXTRAVPR1BAVPR1ABRD4TP53
SCHEMBL4590101 0.79 OXTR (0.45) 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 5 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

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.