SCHEMBL2764590

SCHEMBL2764590

C[C@@H]1[C@H](c2ccccc2)[C@]1(N)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.44
ATM Q13315 1/20 0.37
SLC9A1 P19634 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
RECQL P46063 1/20 0.35
CHRNA7 P36544 1/20 0.35
RORC P51449 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTRA1 Q92743 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
GRM6 O15303 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RIPK1 Q13546 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4924092 1.00 ABCB1 (0.44) ABCB1ATMSLC9A1KDM1AMAOB
SCHEMBL13376471 1.00 ABCB1 (0.44) ABCB1ATMSLC9A1KDM1AMAOB
SCHEMBL14026296 1.00 ABCB1 (0.44) ABCB1ATMSLC9A1KDM1AMAOB
SCHEMBL27669583 0.80 ABCB1 (0.39) ABCB1SLC9A1KDM1AMAOBRECQL
SCHEMBL2764268 0.74 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLNFKB1
SCHEMBL8286525 0.74 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLNFKB1
SCHEMBL14026295 0.74 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLNFKB1
SCHEMBL2764272 0.74 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLNFKB1
SCHEMBL5727679 0.73 RECQL (0.40) ABCB1KDM1AMAOBRECQLCHRNA7
SCHEMBL4929845 0.71 ABCB1 (0.40) ABCB1ATMKDM1AMAOBRECQL

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-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

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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ABCB1 405/4885ATM 4702/4885SLC9A1 269/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ABCB1 413/4885ATM 4722/4885SLC9A1 260/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ABCB1 413/4885ATM 4722/4885SLC9A1 260/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ABCB1 421/4885ATM 4730/4885SLC9A1 272/4885

“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.