SCHEMBL6138336

SCHEMBL6138336

CN(C)C1(COCc2cccnc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
CHRNA7 P36544 1/20 0.45
HSD11B1 P28845 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRK1 P41145 1/20 0.41

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
Hydrochloric Acid SCHEMBL6290150 0.98 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL6138220 0.76 CHRNA7 (0.57) CHRNB2CHRNA4CHRNA7OPRM1OPRL1
SCHEMBL493020 0.76 CYP1A2 (0.56) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL6138002 0.75 CHRNB2 (0.55) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6138304 0.75 CHRNA7 (0.56) CHRNB2CHRNA4CHRNA7OPRM1OPRL1
SCHEMBL6138199 0.75 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27794086 0.74 CYP1A2 (0.54) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6291543 0.74 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL774717 0.73 CHRNB2 (0.52) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL7547106 0.73 CHRNA7 (0.62) CHRM2CHRM1CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP claimed
US-6943184-B2 1,1- and 1,2-disubstituted cyclopropane compounds LES LABORATORIES SERVIER (FR) 2005-09-13 US claimed
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds GOLDSTEIN SOLO (FR) 2005-02-10 US claimed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 US claimed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 EP claimed
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP disclosed
US-6943184-B2 1,1- and 1,2-disubstituted cyclopropane compounds LES LABORATORIES SERVIER (FR) 2005-09-13 US disclosed
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds GOLDSTEIN SOLO (FR) 2005-02-10 US disclosed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 US disclosed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 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 (2 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-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds CHRNA1, CHRNA4, CHRNB1 CHRM2 20/4885CHRM1 11/4885CHRM3 15/4885
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds HCAR1, CHRNA1, CNR1 CHRM2 32/4885CHRM1 8/4885CHRM3 23/4885

“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.