SCHEMBL13007653

SCHEMBL13007653

CC(C)(C)N1CCC(CCN2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
SIGMAR1 Q99720 5/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 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
SCHEMBL13007658 0.98 CYP1A2 (0.44) CYP1A2CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL13007655 0.91 CYP1A2 (0.43) CYP1A2CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL9611075 0.88 GNAO1 (0.34) CYP1A2CARM1PRMT6
SCHEMBL13007656 0.85 NCF1 (0.38) CYP1A2HRH3SIGMAR1
SCHEMBL24453221 0.83 GNAO1 (0.35) CYP1A2CARM1PRMT6
SCHEMBL12563402 0.82 CHRM5 (0.59) CHRM5ADRA2CHRH3
SCHEMBL14081462 0.82 CYP1A2 (0.52) CYP1A2CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL12038519 0.82 CYP1A2 (0.52) CYP1A2CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL17451649 0.81 CYP1A2 (0.42) CYP1A2SIGMAR1
SCHEMBL21933469 0.81 CYP1A2 (0.36) CYP1A2CARM1PRMT6

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-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-7547694-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-16 US disclosed
US-7547694-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-16 US disclosed
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20070275951-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions MUELLER STEPHAN G 2007-11-29 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-7279471-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-09 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 (6 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CYP1A2 922/4885CHRM5 294/4885ADRA2C 84/4885
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP1A2 705/4885CHRM5 4237/4885ADRA2C 1702/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP1A2 705/4885CHRM5 4237/4885ADRA2C 1702/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CYP1A2 705/4885CHRM5 4237/4885ADRA2C 1702/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN CYP1A2 4449/4885CHRM5 3833/4885ADRA2C 3088/4885
US-20070275951-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CYP1A2 922/4885CHRM5 332/4885ADRA2C 102/4885

“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.