SCHEMBL10246536

SCHEMBL10246536

CN(C)CCCC1(c2cccnc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.49
GPR119 Q8TDV5 4/20 0.48
NAMPT P43490 6/20 0.47
TACR1 P25103 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM1A O60341 1/20 0.41
GBA1 P04062 1/20 0.40
CYP2C9 P11712 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
SCHEMBL10246201 0.94 GPR119 (0.50) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL703396 0.89 CCR5 (0.49) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL701189 0.85 MEN1 (0.45) TACR1CYP2C9
SCHEMBL700251 0.85 CCR5 (0.57) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL701615 0.84 GPR119 (0.52) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL10246265 0.84 NAMPT (0.48) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL703519 0.83 CCR5 (0.46) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL13658176 0.83 NAMPT (0.47) CCR5GPR119NAMPTTACR1OPRD1
SCHEMBL707423 0.83 MEN1 (0.46) TACR1OPRD1
SCHEMBL3326591 0.83 GPR119 (0.51) CCR5GPR119NAMPTTACR1OPRD1

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
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
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
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CCR5 1218/4885GPR119 98/4885NAMPT 2136/4885

“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.