SCHEMBL3602265

SCHEMBL3602265

CCOC(=O)CC(C)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP2D6 P10635 1/20 0.38
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
UGT2B7 P16662 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL21821549 0.88 MGAM (0.43) CYP2D6MGAMGAASIMGAM2
SCHEMBL26077265 0.84 CYP2D6 (0.44) CYP2D6MGAMGAASIMGAM2
SCHEMBL1866738 0.83 CYP2D6 (0.47) CYP2D6MGAMGAASIMGAM2
SCHEMBL21551038 0.83 GAA (0.39) CYP2D6MGAMGAASIMGAM2
SCHEMBL596879 0.83 CPN1 (0.40) SLC6A2SLC6A4SLC6A3CPN1CPB2
Hydrochloric Acid SCHEMBL30562189 0.79 SMYD3 (0.44) CYP2D6MGAMGAASIMGAM2
SCHEMBL19554714 0.78 MAPT (0.41) CYP2D6GAAALDH1A1L3MBTL1MAPT
SCHEMBL4033065 0.78 MAPT (0.41) CYP2D6GAAALDH1A1L3MBTL1MAPT
SCHEMBL2254747 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL13316248 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6CPN1

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-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 SLC6A2 1555/4885SLC6A4 1444/4885SLC6A3 1238/4885

“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.