SCHEMBL10246218

SCHEMBL10246218

CCOC(=O)CCC1(c2ccncc2)CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
KDM4E B2RXH2 1/20 0.40
P2RX7 Q99572 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL10282909 0.83 CCR5 (0.44) OPRD1OPRK1
SCHEMBL10246305 0.76 OPRM1 (0.75) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL8485004 0.76 GAA (0.53) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL3951711 0.76 GAA (0.50) KDM4E
SCHEMBL10246299 0.74 CYP3A4 (0.36) SLC6A4KCNH2P2RX7
SCHEMBL10246456 0.73 HSD11B1 (0.42) SLC6A4KCNH2P2RX7
SCHEMBL8485288 0.73 GAA (0.51) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL3951730 0.73 GAA (0.48) KDM4E
SCHEMBL16565569 0.73 OPRM1 (0.64) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL10246273 0.72 OPRM1 (0.45) OPRM1SLC22A1SLC6A4ADRA1AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 OPRM1 20/4885SLC22A1 840/4885SLC6A4 447/4885

“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.