SCHEMBL2499441

SCHEMBL2499441

CN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
UCHL1 P09936 1/20 0.39
ATM Q13315 1/20 0.39
NR1H2 P55055 1/20 0.37
HTRA1 Q92743 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL6604308 1.00 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL2495598 1.00 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL2493129 1.00 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL4488887 1.00 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL30955475 0.89 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL25836938 0.88 CHRM2 (0.40) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL25836961 0.88 CHRM2 (0.40) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL25177825 0.87 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL31340622 0.87 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL8135313 0.87 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19CHRM2

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-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-7297692-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2007-11-20 US disclosed
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-01-04 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
US-7129240-B2 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2006-10-31 US disclosed
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI (FR) 2004-10-21 US disclosed
US-6730695-B2 TREATMENT OF HYPERTENSION, CENTRAL NERVOUS SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 2004-05-04 US disclosed
US-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors SANOFI (FR) 2003-06-19 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 (5 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-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors AVPR1B, AVPR1A, AVPR2 CYP1A2 1241/4885POLB 2973/4885CYP3A4 1665/4885
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A CYP1A2 606/4885POLB 3547/4885CYP3A4 1417/4885
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A CYP1A2 519/4885POLB 3693/4885CYP3A4 695/4885
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVPR1B, AVPR2, AVPR1A CYP1A2 759/4885POLB 3019/4885CYP3A4 1036/4885
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CYP1A2 3212/4885POLB 2001/4885CYP3A4 3077/4885

“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.