SCHEMBL4126218

SCHEMBL4126218

CN(CCCC1CCC(c2cccc(F)c2)(N2CCCC2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRL1 P41146 2/20 0.43
CPB2 Q96IY4 1/20 0.38
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
SLC6A9 P48067 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
RIPK1 Q13546 1/20 0.35
NPY1R P25929 1/20 0.35
ACHE P22303 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
SCHEMBL3411013 0.76 SLC6A4 (0.43) OPRM1SLC6A4TDP1GRIN1GRIN2A
SCHEMBL3413067 0.74 SLC6A4 (0.43) OPRM1OPRL1SLC6A4GRIN1GRIN2A
SCHEMBL3406622 0.73 BDKRB1 (0.36) OPRM1OPRL1
SCHEMBL13333843 0.72 CYP2D6 (0.46) GPR119
SCHEMBL2831968 0.72 HRH3 (0.50) OPRM1SLC6A4GRIN1GRIN2AGRIN2B
SCHEMBL12342549 0.70 TP53 (0.47) GPR119
SCHEMBL13139588 0.67 OPRL1 (0.50) OPRM1OPRL1ACHE
SCHEMBL4280008 0.67 SLC6A3 (0.39) SLC6A4TDP1
SCHEMBL28868811 0.67 GPR119 (0.44) GPR119
SCHEMBL13650556 0.66 ALDH1A1 (0.37) CPB2HTR2CSLC6A4TDP1GPR119

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 4 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
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 OPRM1 2798/4885OPRL1 2189/4885CPB2 3841/4885

“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.