SCHEMBL2336347

SCHEMBL2336347

CC(C)(C)OC(=O)N1CCC2(CC1)CCC(OCCN1CCCC1)(c1cccnc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.43
GPR119 Q8TDV5 4/20 0.43
CCR5 P51681 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KIT P10721 1/20 0.40
CYP11B2 P19099 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 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
SCHEMBL2303481 0.95 NAMPT (0.40) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL2629480 0.94 NAMPT (0.46) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL4292955 0.93 NAMPT (0.46) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL4292487 0.89 NAMPT (0.45) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL13660790 0.89 NAMPT (0.43) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL4299210 0.88 NAMPT (0.44) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL4299495 0.88 NAMPT (0.45) NAMPTGPR119CCR5OPRD1OPRK1
SCHEMBL2336349 0.88 CHRNB2 (0.38) NAMPTGPR119CHRNB2CHRNA4
SCHEMBL639657 0.87 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL4294663 0.83 NAMPT (0.48) NAMPTGPR119OPRD1OPRK1JAK2

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
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS NAMPT 1899/4885GPR119 893/4885CCR5 1048/4885

“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.