SCHEMBL12632597

SCHEMBL12632597

CC1CCN(CCOc2ccc3oc(C(=O)O)cc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
HRH3 Q9Y5N1 6/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 3/20 0.48

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
SCHEMBL443699 0.88 MAOB (0.55) KDM4EDRD2DRD3SIGMAR1MAOB
SCHEMBL4763329 0.86 MAOB (0.57) KDM4EDRD2DRD3SIGMAR1MAOB
SCHEMBL1474106 0.86 PIM1 (0.52) KDM4EHRH3ACHEDRD2DRD3
SCHEMBL3056169 0.85 KDM4E (0.54) KDM4EDRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL7533535 0.84 KDM4E (0.53) KDM4EDRD2DRD3ALDH1A1KMT2A
SCHEMBL1474145 0.83 PIM1 (0.49) KDM4EHRH3DRD2DRD3ALDH1A1
SCHEMBL5105731 0.81 CYP1A2 (0.52) KDM4EBCHEACHEDRD2DRD3
SCHEMBL4765626 0.81 DRD2 (0.52) DRD2DRD3MAOB
SCHEMBL445130 0.78 KDM4E (0.55) KDM4EBCHEACHEDRD2DRD3
SCHEMBL15623105 0.78 KDM4E (0.58) KDM4EBCHEACHEDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 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-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK KDM4E 2528/4885HRH3 89/4885BCHE 1052/4885

“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.