SCHEMBL2303647

SCHEMBL2303647

O=C(CCC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 8/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CNR1 P21554 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45

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
SCHEMBL2307729 0.89 LHCGR (0.51) LHCGRCNR1ADAMTS5
SCHEMBL2304299 0.88 MAPK1 (0.53) LHCGRMAPK1NPSR1ADAMTS5
SCHEMBL2311671 0.87 MEN1 (0.54) LHCGRMAPK1NPSR1MEN1KMT2A
SCHEMBL2310558 0.86 MAPK1 (0.52) LHCGRMAPK1NPSR1
SCHEMBL2305817 0.85 MAPK1 (0.64) LHCGRMAPK1NPSR1
SCHEMBL2311877 0.84 MAPK1 (0.60) LHCGRMAPK1NPSR1
SCHEMBL2304196 0.83 LMNA (0.54) LHCGRPOLBCNR1TP53MAPT
SCHEMBL2304864 0.82 MAPK1 (0.62) LHCGRMAPK1NPSR1MEN1KMT2A
SCHEMBL3365920 0.81 MAPK1 (0.66) LHCGRMAPK1NPSR1
SCHEMBL2307727 0.80 MAPK1 (0.51) LHCGRPOLBMAPK1NPSR1MEN1

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
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 3809/4885POLB 4624/4885MAPK1 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.

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