SCHEMBL2763759

SCHEMBL2763759

C[C@H]1O[C@]1(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PAX8 Q06710 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL2763761 1.00 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL28366383 1.00 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL63455 0.77 CHRM2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6129709 0.77 CHRM2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2173336 0.76 SLC6A3 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL3973022 0.75 CHRM2 (0.40) CYP3A4MAPK1MAOAMAOB
SCHEMBL7107611 0.75 CHRM2 (0.40) CYP3A4MAPK1MAOAMAOB
SCHEMBL27958529 0.73 CHRNB2 (0.34) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL12327975 0.73 CHRNB2 (0.33) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL30046507 0.73 CYP3A4 (0.37) CYP3A4MAPK1ALDH1A1LMNAGAA

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 13 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-6686483-B2 REACTING AN OXIDIZER WITH AN OLEFIN IN PRESENCE OF KETONE COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-03 US disclosed
EP-1021426-B1 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2003-09-17 EP disclosed
US-20020133031-A1 Catalytic asymmetric epoxidation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-09-19 US disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 US disclosed
EP-1021426-A4 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2000-07-26 EP disclosed
EP-1021426-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-07-26 EP disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 WO 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 CHRNB2 2199/4885SLC6A2 2671/4885CHRNB4 3251/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 CHRNB2 2275/4885SLC6A2 2725/4885CHRNB4 3308/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CHRNB2 2275/4885SLC6A2 2725/4885CHRNB4 3308/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CHRNB2 2259/4885SLC6A2 2714/4885CHRNB4 3325/4885
US-20020133031-A1 Catalytic asymmetric epoxidation CBR1, AOX1, CBR3 CHRNB2 1974/4885SLC6A2 4865/4885CHRNB4 1447/4885

“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.