SCHEMBL21138879

SCHEMBL21138879

CCOC(=O)N1CCC(C)CC1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CHRM1 P11229 1/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
PKM P14618 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL22115806 0.88 TSHR (0.40) GAAALDH1A1THRBATML3MBTL1
SCHEMBL22286730 0.85 GAA (0.46) GAAALDH1A1THRBATML3MBTL1
SCHEMBL22115774 0.83 TSHR (0.36) GAAALDH1A1TSHRPOLB
SCHEMBL5244035 0.83 CHRM1 (0.39) GAAALDH1A1THRBATML3MBTL1
SCHEMBL9732326 0.78 RAB9A (0.45) GAAALDH1A1THRBATML3MBTL1
SCHEMBL15730209 0.78 RAB9A (0.45) GAAALDH1A1THRBATML3MBTL1
SCHEMBL15274970 0.78 RAB9A (0.45) GAAALDH1A1THRBATML3MBTL1
SCHEMBL17519842 0.77 CHRM2 (0.44) CHRM1SMN1; SMN2
SCHEMBL21360452 0.77 CHRM2 (0.44) CHRM1SMN1; SMN2
SCHEMBL25568135 0.77 CHRM2 (0.44) CHRM1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A GAA 1662/4885ALDH1A1 1644/4885THRB 4781/4885

“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.