SCHEMBL3020889

SCHEMBL3020889

CCN1CCc2c(-c3cc(C)ccc3C)cc3c(c2C1)NC(=O)C3=NO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
F12 P00748 6/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
BCHE P06276 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3020886 1.00 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4POLB
SCHEMBL4361369 0.85 F12 (0.37) POLBF12ALDH1A1
SCHEMBL3026875 0.85 F12 (0.37) POLBF12ALDH1A1
SCHEMBL3026871 0.85 F12 (0.37) POLBF12ALDH1A1
SCHEMBL3025360 0.85 F12 (0.33) GRIA1GRIA2GRIA3GRIA4F12
SCHEMBL3025356 0.85 F12 (0.33) GRIA1GRIA2GRIA3GRIA4F12
SCHEMBL14311499 0.83 CHRM2 (0.37)
SCHEMBL3028481 0.83 CHRM2 (0.37)
SCHEMBL3028483 0.83 CHRM2 (0.37)
SCHEMBL3020890 0.81 PARP1 (0.40) KDM4EALDH1A1

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 7 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
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US claimed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US 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
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 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 (3 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 GRIA1 320/4885GRIA2 244/4885GRIA3 182/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 GRIA1 241/4885GRIA2 186/4885GRIA3 141/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 GRIA1 347/4885GRIA2 247/4885GRIA3 203/4885

“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.