SCHEMBL3026871

SCHEMBL3026871

CCN1CCc2c(-c3cccc(C)c3C)cc3c(c2C1)NC(=O)/C3=N\O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F12 P00748 5/20 0.37
POLB P06746 1/20 0.33
AGTR1 P30556 1/20 0.32
KIF11 P52732 1/20 0.31
NUDT1 P36639 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DAO P14920 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL3026875 1.00 F12 (0.37) F12POLBAGTR1KIF11NUDT1
SCHEMBL4361369 1.00 F12 (0.37) F12POLBAGTR1KIF11NUDT1
SCHEMBL3020886 0.85 GRIA1 (0.33) F12POLBALDH1A1
SCHEMBL3020889 0.85 GRIA1 (0.33) F12POLBALDH1A1
SCHEMBL3028481 0.84 CHRM2 (0.37)
SCHEMBL14311499 0.84 CHRM2 (0.37)
SCHEMBL3028483 0.84 CHRM2 (0.37)
SCHEMBL4349102 0.84 PARP1 (0.40) ALDH1A1PARP1
SCHEMBL3020890 0.84 PARP1 (0.40) ALDH1A1PARP1
SCHEMBL3020895 0.84 PARP1 (0.40) ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS AROS PHARMA APS (DK) 2010-08-05 US claimed
EP-1957486-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PainCeptor Pharma Corp. (CA) 2008-08-20 EP claimed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US claimed
WO-2007059608-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 WO claimed
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS AROS PHARMA APS (DK) 2010-08-05 US disclosed
US-7718641-B2 Pyrrolo [3,4-H] isoquinoline compounds and methods for modulating gated ion channels AROS PHARMA APS (DE) 2010-05-18 US disclosed
EP-1957486-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PainCeptor Pharma Corp. (CA) 2008-08-20 EP disclosed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US disclosed
WO-2007059608-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 WO 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 (2 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-20070191418-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 F12 4561/4885POLB 4232/4885AGTR1 3512/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 F12 4878/4885POLB 3390/4885AGTR1 3129/4885

“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.