SCHEMBL702191

SCHEMBL702191

CCOC(=O)CCC1(c2cccnc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
GPR119 Q8TDV5 3/20 0.45
CCR5 P51681 5/20 0.44
TACR1 P25103 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CYP2C9 P11712 1/20 0.40
GBA1 P04062 1/20 0.40
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 0.88 CCR5 (0.44) NAMPTGPR119CCR5TACR1OPRD1
SCHEMBL11919549 0.88 TACR1 (0.53) GPR119CCR5TACR1OPRD1OPRK1
SCHEMBL703396 0.84 CCR5 (0.49) NAMPTGPR119CCR5TACR1OPRD1
SCHEMBL701615 0.83 GPR119 (0.52) NAMPTGPR119CCR5TACR1OPRD1
SCHEMBL10246201 0.83 GPR119 (0.50) NAMPTGPR119CCR5TACR1OPRD1
SCHEMBL10246265 0.83 NAMPT (0.48) NAMPTGPR119CCR5TACR1OPRD1
SCHEMBL703588 0.82 TACR1 (0.46) GPR119CCR5TACR1OPRD1
SCHEMBL700357 0.82 CCR5 (0.55) CCR5TACR1OPRD1OPRK1
SCHEMBL3326591 0.82 GPR119 (0.51) NAMPTGPR119CCR5TACR1OPRD1
SCHEMBL703385 0.82 CCR5 (0.56) NAMPTGPR119CCR5TACR1OPRD1

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 8 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

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 NAMPT 2136/4885GPR119 98/4885CCR5 1218/4885

“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.