SCHEMBL4027751

SCHEMBL4027751

COc1ccc(CN2C3CCC(C3)C2C(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
LTA4H P09960 1/20 0.50
MMP13 P45452 4/20 0.49
MMP1 P03956 3/20 0.49
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CXCR4 P61073 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL4031887 0.86 CYP3A4 (0.54) CYP3A4LTA4HL3MBTL1ALDH1A1CXCR4
SCHEMBL4031829 0.82 CYP3A4 (0.53) CYP3A4LTA4HL3MBTL1ALDH1A1CXCR4
SCHEMBL4035088 0.77 CHRNB2 (0.42) MMP1MMP9
SCHEMBL25529723 0.76 CYP3A4 (0.56) CYP3A4LTA4HL3MBTL1ALDH1A1CXCR4
SCHEMBL4032000 0.75 ALDH1A1 (0.61) MMP13MMP1MMP2MMP9L3MBTL1
SCHEMBL6491614 0.75 ALDH1A1 (0.61) MMP13MMP1MMP2MMP9L3MBTL1
SCHEMBL14575007 0.75 ALDH1A1 (0.61) MMP13MMP1MMP2MMP9L3MBTL1
SCHEMBL6493434 0.75 ALDH1A1 (0.61) MMP13MMP1MMP2MMP9L3MBTL1
SCHEMBL29641206 0.75 SLC6A4 (0.54) CYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL6121340 0.75 SLC6A4 (0.54) CYP3A4L3MBTL1ALDH1A1KMT2A

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 7 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
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-7176217-B2 Azabicyclo compound matrix metalloprotease inhibitor and skin preparation SHISEIDO CO., LTD. (JP) 2007-02-13 US 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 409/4885MMP13 16/4885

“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.