SCHEMBL6496152

SCHEMBL6496152

CC(C)(C)OC(=O)N1CCC(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
STS P08842 4/20 0.41
CNR1 P21554 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
HTT P42858 1/20 0.40
SCN9A Q15858 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL459965 0.81 MAPT (0.62) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5106419 0.81 STS (0.49) MAPTKDM4ETHRBALDH1A1MEN1
SCHEMBL20443672 0.80 MAPT (0.46) MAPTKDM4ETHRBALDH1A1MEN1
SCHEMBL24629830 0.78 STS (0.50) MAPTKDM4ETHRBALDH1A1MEN1
SCHEMBL29535159 0.78 STS (0.50) MAPTKDM4ETHRBALDH1A1MEN1
SCHEMBL19268020 0.78 GPR119 (0.51) MAPTKDM4ETHRBALDH1A1LMNA
SCHEMBL17304049 0.77 PDE4B (0.48) MAPTKDM4ETHRBSTSGPR119
SCHEMBL13671244 0.77 MAPT (0.49) MAPTKDM4ETHRBALDH1A1MEN1
SCHEMBL3110117 0.76 MAPT (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL719114 0.76 NR1H2 (0.54) MAPTALDH1A1MEN1KMT2ALMNA

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 MAPT 400/4885KDM4E 2367/4885THRB 243/4885

“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.