SCHEMBL5350569

SCHEMBL5350569

CN(C)C(=O)[C@@H]1C[C@@H](OCC(=O)O)CN1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
GLI1 P08151 1/20 0.33
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
CTSC P53634 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL31688558 0.82 CYP2D6 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL31688651 0.82 CYP2D6 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL31000520 0.82 CYP2D6 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
Trifluoroacetic Acid SCHEMBL5357778 0.79 DPP4 (0.33) DPP4
SCHEMBL15386468 0.78 DPP4 (0.41) DPP4GLI1CHEK1CHEK2CTSC
SCHEMBL6834909 0.78 CYP1A2 (0.32) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL5345697 0.77 DPP4 (0.40) DPP4GLI1CHEK1CHEK2CTSC
SCHEMBL15386913 0.77 DPP4 (0.40) DPP4GLI1CHEK1CHEK2
Trifluoroacetic Acid SCHEMBL2497109 0.76 CTSC (0.33) DPP4CTSC
Trifluoroacetic Acid SCHEMBL2501980 0.74 DPP4 (0.30) DPP4

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-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-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 (3 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 DPP4 2745/4885GLI1 4396/4885CHEK1 3707/4885
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A DPP4 2282/4885GLI1 4339/4885CHEK1 4100/4885
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVPR1B, AVPR2, AVPR1A DPP4 2689/4885GLI1 4123/4885CHEK1 3979/4885

“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.