SCHEMBL2308933

SCHEMBL2308933

COc1cc(CNC(=O)CCC(=O)N2CCc3sccc3C2c2ccc(Cl)cc2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 16/20 0.58
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
CNR1 P21554 1/20 0.46

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
SCHEMBL2307540 0.86 LHCGR (0.56) LHCGRMAPK1NPSR1
SCHEMBL2307638 0.85 LHCGR (0.56) LHCGRPOLB
SCHEMBL2309079 0.83 LHCGR (0.77) LHCGRMAPK1NPSR1POLB
SCHEMBL2310063 0.83 LHCGR (0.57) LHCGRPOLBCNR1
SCHEMBL2310036 0.83 LHCGR (0.53) LHCGRMAPK1NPSR1CNR1
SCHEMBL3365428 0.82 LHCGR (0.63) LHCGRMAPK1NPSR1POLB
SCHEMBL2312117 0.82 MAPK1 (0.57) LHCGRMAPK1NPSR1
SCHEMBL2307691 0.80 MAPK1 (0.51) LHCGRMAPK1NPSR1
SCHEMBL2309008 0.80 LHCGR (0.53) LHCGRMAPK1NPSR1CNR1
SCHEMBL2304938 0.80 MAPK1 (0.54) LHCGRMAPK1NPSR1

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
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
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 US 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
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
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 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 (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 LHCGR 3809/4885MAPK1 1262/4885NPSR1 1084/4885

“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.