SCHEMBL4299495

SCHEMBL4299495

CN1CCN(CCOC2(c3cccnc3)CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.45
GPR119 Q8TDV5 3/20 0.45
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CCR5 P51681 2/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM1A O60341 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C9 P11712 1/20 0.39
GBA1 P04062 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TERT O14746 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
SCHEMBL4292946 0.94 NAMPT (0.44) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL2629480 0.93 NAMPT (0.46) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL4292955 0.93 NAMPT (0.46) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL2336347 0.88 NAMPT (0.43) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL4292487 0.88 NAMPT (0.45) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL13660790 0.88 NAMPT (0.43) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL4294663 0.87 NAMPT (0.48) NAMPTGPR119OPRD1OPRK1JAK2
SCHEMBL4299210 0.87 NAMPT (0.44) NAMPTGPR119OPRD1OPRK1CCR5
SCHEMBL4442132 0.85 MEN1 (0.43) OPRD1
SCHEMBL4296411 0.85 NAMPT (0.44) NAMPTGPR119OPRD1OPRK1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 NAMPT 1887/4885GPR119 623/4885OPRD1 129/4885

“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.