SCHEMBL4031829

SCHEMBL4031829

CCOC(=O)C1C2CCC(C2)N1Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
LTA4H P09960 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
CXCR4 P61073 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29641090 0.87 OPRK1 (0.48) ALDH1A1
SCHEMBL29641135 0.87 OPRK1 (0.48) ALDH1A1
SCHEMBL21159397 0.87 OPRK1 (0.48) ALDH1A1
SCHEMBL29638013 0.87 OPRK1 (0.48) ALDH1A1
SCHEMBL15934617 0.87 OPRK1 (0.48) ALDH1A1
SCHEMBL4031887 0.85 CYP3A4 (0.54) CYP3A4LTA4HL3MBTL1ALPLALPI
SCHEMBL4027751 0.82 CYP3A4 (0.54) CYP3A4LTA4HL3MBTL1ALPLALPI
SCHEMBL16589461 0.82 MEN1 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4026248 0.79 ALDH1A1 (0.45) ALDH1A1CYP2D6CYP2C19KMT2AMEN1
SCHEMBL30963561 0.79 CYP3A4 (0.51) CYP3A4L3MBTL1ALDH1A1KDM4EMAPT

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
EP-1452527-B1 AZABICYCLO COMPOUND, MATRIX METALLOPROTEASE INHIBITOR, AND SKIN PREPARATION SHISEIDO CO LTD (JP) 2009-03-04 EP disclosed
US-7176217-B2 Azabicyclo compound matrix metalloprotease inhibitor and skin preparation SHISEIDO CO., LTD. (JP) 2007-02-13 US disclosed
US-20050009808-A1 Azabicyclo compound matrix metalloprotease inibitor and skin preparation SHISEIDO CO., LTD. (JP) 2005-01-13 US disclosed
EP-1452527-A1 AZABICYCLO COMPOUND, MATRIX METALLOPROTEASE INHIBITOR, AND SKIN PREPARATION Shiseido Co., Ltd. (JP) 2004-09-01 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-20050009808-A1 Azabicyclo compound matrix metalloprotease inibitor and skin preparation MMP1, MMP16, MMP9 CYP3A4 1450/4885LTA4H 409/4885L3MBTL1 4719/4885

“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.