SCHEMBL4031887

SCHEMBL4031887

COc1ccc(CN2C3CCC(C3)C2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
LTA4H P09960 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CXCR4 P61073 1/20 0.46
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM2 P08172 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL4027751 0.86 CYP3A4 (0.54) CYP3A4LTA4HL3MBTL1ALDH1A1CYP2D6
SCHEMBL4031829 0.85 CYP3A4 (0.53) CYP3A4LTA4HL3MBTL1ALDH1A1CYP2D6
SCHEMBL25204373 0.85 CYP3A4 (0.48) CYP3A4LTA4HL3MBTL1ALDH1A1CYP2D6
SCHEMBL20851284 0.84 KCNH2 (0.51) LTA4HL3MBTL1ALDH1A1CHRM2OPRK1
SCHEMBL6120091 0.84 KCNH2 (0.51) LTA4HL3MBTL1ALDH1A1CHRM2OPRK1
SCHEMBL30159057 0.84 KCNH2 (0.51) LTA4HL3MBTL1ALDH1A1CHRM2OPRK1
SCHEMBL11094109 0.83 LTA4H (0.58) CYP3A4LTA4HL3MBTL1ALDH1A1CYP2D6
SCHEMBL29641206 0.78 SLC6A4 (0.54) CYP3A4L3MBTL1ALDH1A1OPRK1KCNH2
SCHEMBL6121340 0.78 SLC6A4 (0.54) CYP3A4L3MBTL1ALDH1A1OPRK1KCNH2
SCHEMBL16765154 0.78 SLC6A4 (0.54) CYP3A4L3MBTL1ALDH1A1OPRK1KCNH2

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.