SCHEMBL10161064

SCHEMBL10161064

COC(=O)c1cc(C(=O)C(C)C)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 5/20 0.37
GAA P10253 3/20 0.37
DBH P09172 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL69256 0.83 CA1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10161071 0.80 KDM4E (0.40) KDM4EGAADBHRECQLKMT2A
SCHEMBL9495849 0.80 NR4A2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10161056 0.79 KDM4E (0.39) KDM4EGAADBHRECQLALDH1A1
SCHEMBL12310943 0.75 MAPT (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16691851 0.72 CXCR1 (0.40) CHRM1MAPTKMT2AMEN1CYP1A2
SCHEMBL23682836 0.72 MAPT (0.47) MAPTKDM4EGAARECQLKMT2A
SCHEMBL162015 0.72 MAPT (0.43) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL14372978 0.72 MAPT (0.56) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL18124996 0.71 MAPT (0.43) MAPTKDM4EGAACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CHRM2 4781/4885CHRM4 4874/4885CHRM5 4857/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CHRM2 4781/4885CHRM4 4874/4885CHRM5 4857/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CHRM2 4781/4885CHRM4 4874/4885CHRM5 4857/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CHRM2 4781/4885CHRM4 4874/4885CHRM5 4857/4885

“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.