SCHEMBL5660106

SCHEMBL5660106

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
GAA P10253 2/20 0.43
EPHX1 P07099 2/20 0.42
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 2/20 0.38
KDM1A O60341 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAOB P27338 1/20 0.36
CCR1 P32246 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL14368651 1.00 BTK (0.44) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL12665761 1.00 BTK (0.44) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL5849127 1.00 BTK (0.44) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL5660102 1.00 BTK (0.44) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL28790202 1.00 BTK (0.44) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL3377156 1.00 BTK (0.44) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL3378201 0.98 GAA (0.46) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL3373967 0.97 BTK (0.48) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL13039154 0.97 BTK (0.48) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL17714303 0.97 BTK (0.48) BTKGAAEPHX1HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US 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 (3 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 BTK 2458/4885GAA 2413/4885EPHX1 1536/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 BTK 3689/4885GAA 2897/4885EPHX1 1077/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 BTK 3689/4885GAA 2897/4885EPHX1 1077/4885

“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.