SCHEMBL13801237

SCHEMBL13801237

COc1ccccc1C1=CCN(C=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP1 P09874 1/20 0.44
PDE4D Q08499 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGS2 P35354 1/20 0.41
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
MAPT P10636 1/20 0.40
HTR7 P34969 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 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
SCHEMBL5547709 0.81 QDPR (0.54) TNKSTNKS2
SCHEMBL5547704 0.80 TNKS (0.46) TNKSTNKS2PARP1PPARGPPARA
SCHEMBL13999795 0.80 L3MBTL1 (0.40) TNKSTNKS2MAPTHTR7
SCHEMBL20993990 0.78 MAPT (0.50) TNKSTNKS2PARP1PPARGPPARA
SCHEMBL7549123 0.77 MAPT (0.49) TNKSTNKS2PARP1PPARGPPARA
SCHEMBL11092802 0.75 MAPT (0.45) TNKSTNKS2PARP1PPARGPPARA
SCHEMBL2396688 0.74 HTR1A (0.57) PARP1PPARGPPARACCNT1CDK9
SCHEMBL186070 0.74 CCNT1 (0.52) TNKSTNKS2PPARGPPARACACNA1G
SCHEMBL22340527 0.73 SLC6A4 (0.42) PDE4DPPARGPPARACCNT1CDK9
SCHEMBL22340253 0.73 QDPR (0.46) PDE4DPTGS2CCNT1CDK9MAPT

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS TNKS 3256/4885TNKS2 4218/4885PARP1 4196/4885

“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.