SCHEMBL174975

SCHEMBL174975

CC(C(=O)C(N)=O)C1NCCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.63
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC22A1 O15245 1/20 0.41
GAA P10253 1/20 0.41
OPRM1 P35372 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GID4 Q8IVV7 1/20 0.39

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
SCHEMBL28209057 0.85 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL1012767 0.78 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL31158625 0.78 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL29768316 0.78 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL24091985 0.78 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL31569038 0.77 PRCP (0.77) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL11536627 0.76 PRCP (0.65) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL24845654 0.74 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL4144168 0.74 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL3235313 0.72 PRCP (0.51) PRCPTSHRNPSR1SLC22A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 US disclosed
EP-2611780-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-10 EP disclosed
WO-2012028300-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 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-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 PRCP 4053/4885TSHR 4213/4885NPSR1 1303/4885

“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.