SCHEMBL6495331

SCHEMBL6495331

CC(C)(C)OC(=O)N1CCN(c2cc3[nH]c(=S)[nH]c3cc2C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR119 Q8TDV5 7/20 0.44
LMNA P02545 2/20 0.42
KCNH2 Q12809 2/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
RET P07949 4/20 0.41
EGLN2 Q96KS0 1/20 0.40
KIT P10721 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
SCHEMBL6492369 0.82 MAPT (0.55) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6484073 0.82 MAPT (0.55) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6494859 0.82 MAPT (0.74) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6485162 0.79 MAPT (0.51) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL23220924 0.77 MEN1 (0.49) ALDH1A1MAPTGPR119LMNANR1H2
SCHEMBL355300 0.76 BACE1 (0.55) ALDH1A1MAPTGPR119LMNAKCNH2
SCHEMBL2459991 0.76 GPR119 (0.50) ALDH1A1MAPTGPR119LMNANR1H2
SCHEMBL594432 0.76 MAPT (0.54) ALDH1A1MAPTGAAHSD17B10GPR119
SCHEMBL29665264 0.76 MAPT (0.54) ALDH1A1MAPTGAAHSD17B10GPR119
SCHEMBL652725 0.76 MEN1 (0.52) ALDH1A1MAPTPOLBGPR119LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR ALDH1A1 1851/4885MAPT 400/4885KDM4E 2367/4885

“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.