SCHEMBL2311671

SCHEMBL2311671

O=C(CCC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LHCGR P22888 6/20 0.52
HTR1A P08908 4/20 0.52
HTR7 P34969 3/20 0.52
ADAMTS5 Q9UNA0 1/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL2304299 0.90 MAPK1 (0.53) MAPK1NPSR1LHCGRADAMTS5
SCHEMBL2310558 0.88 MAPK1 (0.52) MAPK1NPSR1LHCGR
SCHEMBL2303647 0.87 LHCGR (0.55) MEN1KMT2AMAPK1NPSR1LHCGR
SCHEMBL2305817 0.85 MAPK1 (0.64) MAPK1NPSR1LHCGR
SCHEMBL2307727 0.84 MAPK1 (0.51) MEN1KMT2AMAPK1NPSR1ALDH1A1
SCHEMBL2304196 0.83 LMNA (0.54) LHCGRADAMTS5
SCHEMBL2311877 0.82 MAPK1 (0.60) MAPK1NPSR1LHCGR
SCHEMBL2308091 0.82 KMT2A (0.55) MEN1KMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL2304864 0.82 MAPK1 (0.62) MEN1KMT2AMAPK1NPSR1ALDH1A1
SCHEMBL2304201 0.81 LHCGR (0.59) MAPK1NPSR1LHCGR

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
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 claimed
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 claimed
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 US claimed
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 claimed
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 MEN1 1348/4885KMT2A 367/4885MAPK1 1262/4885

“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.