SCHEMBL4125739

SCHEMBL4125739

NCC1CCC(c2ccccc2)(N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP2B6 P20813 1/20 0.44
PRCP P42785 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
SLC6A9 P48067 1/20 0.42
OPRL1 P41146 2/20 0.41
NPY1R P25929 2/20 0.39
PIK3CB P42338 1/20 0.36

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
SCHEMBL4048356 0.84 SIGMAR1 (0.47) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL4048354 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL4112299 0.78 TSHR (0.39) SLC6A2SLC6A4SLC6A3SIGMAR1OPRL1
SCHEMBL7388493 0.77 SIGMAR1 (0.73) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL19262558 0.74 SIGMAR1 (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL10819368 0.74 GRIN2D (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL27678993 0.74 SIGMAR1 (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL734607 0.73 SIGMAR1 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL3941642 0.73 SIGMAR1 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D
SCHEMBL27714919 0.72 SIGMAR1 (0.45) SLC6A2SLC6A4SLC6A3SIGMAR1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC6A2 1720/4885SLC6A4 986/4885SLC6A3 1698/4885

“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.