SCHEMBL4590183

SCHEMBL4590183

CN(C)C(=O)[C@@H]1CCCN1C1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)c(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
BRD4 O60885 4/20 0.37
OXTR P30559 7/20 0.37
AVPR1B P47901 7/20 0.37
AVPR1A P37288 6/20 0.37
ACHE P22303 2/20 0.34
PDK2 Q15119 1/20 0.34
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 3/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4590488 0.89 OXTR (0.39) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4590180 0.85 BRD4 (0.40) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4588792 0.83 CASP3 (0.38) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4590074 0.82 OXTR (0.41) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4590176 0.81 BRD4 (0.38) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4590303 0.81 OXTR (0.43) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4589828 0.78 OXTR (0.39) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4588564 0.77 OXTR (0.43) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4590186 0.76 OXTR (0.44) CASP3BRD4OXTRAVPR1BAVPR1A
SCHEMBL4590188 0.76 OXTR (0.49) CASP3BRD4OXTRAVPR1BAVPR1A

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 CASP3 4286/4885BRD4 2445/4885OXTR 12/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A CASP3 3624/4885BRD4 2256/4885OXTR 9/4885

“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.