SCHEMBL13488656

SCHEMBL13488656

CN1CCN(c2cccc(NC(=O)OC(C)(C)C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
KIF18A Q8NI77 3/20 0.48
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPX4 P36969 1/20 0.41
UCHL3 P15374 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
OGA O60502 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL31052610 0.87 KIF18A (0.45) CDK5CDK5R1KIF18AKDM4EALDH1A1
SCHEMBL29497116 0.87 KIF18A (0.52) CDK5CDK5R1KIF18AOGA
SCHEMBL24322378 0.87 KIF18A (0.52) CDK5CDK5R1KIF18AOGA
SCHEMBL3199360 0.86 CLK2 (0.51) KIF18AADORA2AADORA1GSK3BKDM4E
SCHEMBL21227507 0.82 CLK2 (0.47) KIF18AADORA2AADORA1GSK3BKDM4E
SCHEMBL18427265 0.80 GSK3B (0.41) KIF18AADORA2AADORA1GSK3BDYRK1A
SCHEMBL29394473 0.79 LCK (0.47) GSK3BDYRK1A
SCHEMBL12653769 0.79 KIF18A (0.52) KIF18AGSK3BDYRK1A
SCHEMBL29215258 0.79 DYRK1A (0.44) GSK3BDYRK1A
SCHEMBL16790987 0.78 KIF18A (0.53) KIF18A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 CDK5 573/4885CDK5R1 823/4885HTR3E 3566/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 CDK5 433/4885CDK5R1 655/4885HTR3E 3412/4885

“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.