SCHEMBL2308041

SCHEMBL2308041

O=C(CCC(=O)N1CCc2sccc2C1c1ccc(F)cc1)NCc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 4/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LHCGR P22888 1/20 0.42

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
SCHEMBL2306157 0.85 CNR1 (0.49) CNR1KMT2APOLBTP53LHCGR
SCHEMBL2306792 0.82 LHCGR (0.55) CNR1LHCGR
SCHEMBL2309135 0.82 CNR1 (0.48) CNR1RAB9ALHCGR
SCHEMBL2307807 0.82 TAAR1 (0.51) CNR1NPSR1HPGDLHCGR
SCHEMBL2308904 0.80 HHAT (0.52) CNR1TP53LHCGR
SCHEMBL2306184 0.80 HHAT (0.52) LHCGR
SCHEMBL2310036 0.80 LHCGR (0.53) CNR1NPSR1LHCGR
SCHEMBL2303644 0.80 CNR1 (0.47) CNR1LHCGR
SCHEMBL2310003 0.80 HHAT (0.45) CNR1KMT2ALHCGR
SCHEMBL2307294 0.80 CNR1 (0.48) CNR1LHCGR

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 CNR1 271/4885RAB9A 1673/4885KMT2A 367/4885

“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.