SCHEMBL3025356

SCHEMBL3025356

CCN1CCc2c(-c3cc(C)cc(C)c3)cc3c(c2C1)NC(=O)/C3=N/O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F12 P00748 10/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
BRD4 O60885 1/20 0.32
HTR1A P08908 1/20 0.31
F2 P00734 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
SCHEMBL3025360 1.00 F12 (0.33) F12GRIA1GRIA2GRIA3GRIA4
SCHEMBL3028483 0.88 CHRM2 (0.37)
SCHEMBL3028481 0.88 CHRM2 (0.37)
SCHEMBL14311499 0.88 CHRM2 (0.37)
SCHEMBL3014385 0.86 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4
SCHEMBL3014382 0.86 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4
SCHEMBL3020889 0.85 GRIA1 (0.33) F12GRIA1GRIA2GRIA3GRIA4
SCHEMBL3020886 0.85 GRIA1 (0.33) F12GRIA1GRIA2GRIA3GRIA4
SCHEMBL14402288 0.83 GRIA1 (0.34) F12GRIA1GRIA2GRIA3GRIA4
SCHEMBL14287499 0.83 GRIA1 (0.40) F12GRIA1GRIA2GRIA3GRIA4

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 19 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-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-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-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-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-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
WO-2008144931-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-04 WO disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US disclosed
US-20070191418-A1 Compositions and methods for modulating gated ion channels AROS PHARMA APS (DK) 2007-08-16 US 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 (4 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 4561/4885GRIA1 320/4885GRIA2 244/4885
US-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 F12 4561/4885GRIA1 320/4885GRIA2 244/4885
US-20100197721-A1 PYRROLO [3, 4-h] ISOQUINOLINE COMPOUNDS AND METHODS FOR MODULATING GATED ION CHANNELS KCNQ1, KCNQ2, KCNH3 F12 4878/4885GRIA1 241/4885GRIA2 186/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 F12 4724/4885GRIA1 347/4885GRIA2 247/4885

“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.