SCHEMBL703396

SCHEMBL703396

CC(C)(C)OC(=O)N1CCC(CCCO)(c2cccnc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.49
NAMPT P43490 6/20 0.48
GPR119 Q8TDV5 3/20 0.48
TACR1 P25103 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GBA1 P04062 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL701615 0.89 GPR119 (0.52) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL10246536 0.89 CCR5 (0.49) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL700251 0.88 CCR5 (0.57) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL10282907 0.87 CCR5 (0.50) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL10246201 0.86 GPR119 (0.50) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL10246265 0.86 NAMPT (0.48) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL703519 0.86 CCR5 (0.46) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL13658176 0.86 NAMPT (0.47) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL3326591 0.86 GPR119 (0.51) CCR5NAMPTGPR119TACR1OPRD1
SCHEMBL703385 0.85 CCR5 (0.56) CCR5NAMPTGPR119TACR1OPRD1

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 9 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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP 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
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
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 1218/4885NAMPT 2136/4885GPR119 98/4885

“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.