SCHEMBL2308714

SCHEMBL2308714

Cc1ccc(C2c3ccsc3CCN2C(=O)CCC(=O)N2CCCC2c2nccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
LHCGR P22888 2/20 0.47
HHAT Q5VTY9 5/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
PRCP P42785 1/20 0.40

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
SCHEMBL2306967 0.87 HHAT (0.55) LHCGRHHATMAPK1NPSR1CNR1
SCHEMBL2307643 0.78 HHAT (0.54) HHATNPC1ALDH1A1RAB9AMAPT
SCHEMBL2308141 0.77 HHAT (0.53) LHCGRHHATMAPK1NPSR1MEN1
SCHEMBL3364324 0.76 LHCGR (0.55) LHCGRHHATMAPK1NPSR1CNR1
SCHEMBL2307864 0.76 HHAT (0.54) LHCGRHHATMAPK1NPSR1CNR1
SCHEMBL12761030 0.76 HHAT (0.51) LHCGRHHATMAPK1NPSR1CNR1
SCHEMBL2309031 0.76 HHAT (0.56) LHCGRHHATMAPK1NPSR1
SCHEMBL2307712 0.75 LHCGR (0.47) LHCGRHHATMAPK1NPSR1CNR1
SCHEMBL2305789 0.75 HHAT (0.57) LHCGRHHATMAPK1NPSR1CNR1
SCHEMBL2308634 0.74 LHCGR (0.49) LHCGRHHATLMNAMAPK1NPSR1

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
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
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 PKM 534/4885LHCGR 3809/4885HHAT 3956/4885

“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.