SCHEMBL2307601

SCHEMBL2307601

CCC1CCCCN1C(=O)CCC(=O)N1CCc2sccc2C1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 5/20 0.59
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.52
LHCGR P22888 3/20 0.48
CNR1 P21554 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 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
SCHEMBL2306138 0.84 HHAT (0.56) HHATNPC1RAB9AMEN1KMT2A
SCHEMBL2308672 0.83 HHAT (0.49) HHATLHCGRCNR1
SCHEMBL3365755 0.83 HHAT (0.73) HHATLHCGRNPSR1MAPK1
SCHEMBL3367746 0.83 HHAT (0.69) HHATLHCGRNPSR1MAPK1
SCHEMBL6848473 0.81 HHAT (0.74) HHATLHCGRNPSR1MAPK1
SCHEMBL2307173 0.81 HHAT (0.57) HHATLHCGRCNR1NPSR1MAPK1
SCHEMBL3365448 0.81 HHAT (0.66) HHATLHCGRNPSR1MAPK1
SCHEMBL2308896 0.81 HHAT (0.63) HHATLHCGRCNR1NPSR1MAPK1
SCHEMBL3366109 0.80 HHAT (0.65) HHATLHCGRNPSR1MAPK1
SCHEMBL2309214 0.80 HHAT (0.61) HHATLHCGRNPSR1MAPK1

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 HHAT 3956/4885NPC1 1484/4885RAB9A 1673/4885

“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.