SCHEMBL2764012

SCHEMBL2764012

CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@H]1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
ADAMTS5 Q9UNA0 4/20 0.43
RORC P51449 2/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2764016 1.00 MAPK1 (0.59) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL4899633 1.00 MAPK1 (0.59) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL15020639 1.00 MAPK1 (0.59) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL14265357 1.00 MAPK1 (0.59) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL15116474 0.90 MAPK1 (0.48) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL15116668 0.90 MAPK1 (0.48) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL15116623 0.90 MAPK1 (0.48) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL14045956 0.90 MAPK1 (0.48) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL15116527 0.90 MAPK1 (0.48) MAPK1CYP2C19KDM1AMAOBADAMTS5
SCHEMBL9556579 0.89 MAPK1 (0.47) MAPK1CYP2C19KDM1AMAOBADAMTS5

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
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 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 (5 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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 MAPK1 2135/4885CYP2C19 158/4885KDM1A 1274/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 MAPK1 2090/4885CYP2C19 159/4885KDM1A 1248/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 MAPK1 1083/4885CYP2C19 755/4885KDM1A 477/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 MAPK1 2090/4885CYP2C19 159/4885KDM1A 1248/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 MAPK1 2078/4885CYP2C19 170/4885KDM1A 1163/4885

“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.