SCHEMBL2358588

SCHEMBL2358588

CC(C)c1ccccc1C1NCCc2sccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
PRCP P42785 4/20 0.41
DRD3 P35462 1/20 0.38
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
KMT2A Q03164 2/20 0.33
HHAT Q5VTY9 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4344858 0.81 GID4 (0.60) GID4L3MBTL1PRCPDRD3GAA
SCHEMBL2308014 0.78 GID4 (0.53) GID4L3MBTL1PRCPDRD3GAA
SCHEMBL12761088 0.78 GID4 (0.52) GID4L3MBTL1PRCPDRD3GAA
SCHEMBL2359018 0.76 GID4 (0.71) GID4L3MBTL1PRCPDRD3GAA
SCHEMBL20912489 0.76 GID4 (0.71) GID4L3MBTL1PRCPDRD3GAA
SCHEMBL20912502 0.76 GID4 (0.71) GID4L3MBTL1PRCPDRD3GAA
SCHEMBL12761049 0.72 GID4 (0.60) GID4L3MBTL1PRCPDRD3TAAR1
SCHEMBL8492295 0.71 GID4 (0.55) GID4L3MBTL1DRD3TAAR1KMT2A
SCHEMBL12760970 0.70 GID4 (0.62) GID4L3MBTL1DRD3GAATAAR1
SCHEMBL4344185 0.70 GID4 (1.00) GID4L3MBTL1PRCPDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350093-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE GRUENENTHAL GMBH (DE) 2012-10-03 EP disclosed
EP-2350093-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE Grünenthal GmbH (DE) 2011-08-03 EP disclosed
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 US disclosed
WO-2010046108-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 GID4 2166/4885L3MBTL1 2790/4885PRCP 4671/4885

“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.