SCHEMBL3412450

SCHEMBL3412450

CNCCC1CCC(c2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
KCNH2 Q12809 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
CYP2B6 P20813 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
PRCP P42785 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
OPRM1 P35372 3/20 0.51
OPRD1 P41143 1/20 0.51
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL3408247 0.97 SIGMAR1 (0.49) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL4125396 0.92 SIGMAR1 (0.50) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL4123524 0.86 SIGMAR1 (0.55) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL4119368 0.82 SIGMAR1 (0.57) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL4112325 0.79 CARM1 (0.46) SIGMAR1CARM1PRMT6CHRM2CHRM1
SCHEMBL4125629 0.79 SIGMAR1 (0.60) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL3411013 0.78 SLC6A4 (0.43) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL2360258 0.78 SIGMAR1 (0.55) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6
SCHEMBL4130314 0.77 CARM1 (0.50) SIGMAR1CARM1PRMT6CHRM2CHRM1
Hydrochloric Acid SCHEMBL2335164 0.77 OPRM1 (0.56) SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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 (1 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 1349/4885KCNH2 1264/4885GRIN2D 2928/4885

“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.