SCHEMBL4500673

SCHEMBL4500673

CC(O)N(C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
LIPE Q05469 1/20 0.40
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
DRD1 P21728 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL85721 0.83 CYP2D6 (0.55) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL27466737 0.82 CYP2D6 (0.46) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL3989090 0.82 CYP2D6 (0.44) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL11701431 0.82 CYP2D6 (0.44) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL7553092 0.79 CYP2D6 (0.47) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL4953723 0.79 POLB (0.44) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL4953717 0.79 POLB (0.44) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL21884184 0.78 CYP2D6 (0.42) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL8803105 0.78 POLB (0.43) CYP2D6CYP2C19LIPELMNATSHR
SCHEMBL8716295 0.76 TSHR (0.32) KDM4ETSHRHSD17B10ALDH1A1KCNA5

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-7598387-B2 Synthesis of antidiabetic rosiglitazone derivatives CIPLA LIMITED (IN) 2009-10-06 US disclosed
EP-1756099-B1 SYNTHESIS OF ANTIDIABETIC ROSIGLITAZONE DERIVATIVES CIPLA LTD (IN) 2008-11-12 EP disclosed
US-20070191611-A1 Synthesis of antidiabetic rosigltazone derivatives CIPLA LIMITED (IN) 2007-08-16 US disclosed
WO-2002051823-A1 PROCESS FOR THE PREPARATION OF ROSIGLITAZONE MALEATE TORRENT PHARMACEUTICALS LTD (IN) 2002-07-04 WO disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 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 (1 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-20070191611-A1 Synthesis of antidiabetic rosigltazone derivatives PPARD, PPARG, GLP1R CYP2D6 309/4885CYP2C19 217/4885LIPE 915/4885

“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.