SCHEMBL3592983

SCHEMBL3592983

COc1cc(C2(O)C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(O)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.40
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
COMT P21964 1/20 0.33

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
SCHEMBL3608349 0.85 SCN9A (0.39) SCN9AALDH1A1SMN1; SMN2KMT2AOPRM1
SCHEMBL2306983 0.81 SCN9A (0.39) SCN9AALDH1A1SMN1; SMN2KMT2AOPRM1
SCHEMBL2305064 0.81 KMT2A (0.42) SCN9AALDH1A1SMN1; SMN2KMT2AOPRM1
SCHEMBL2306564 0.80 SCN9A (0.39) SCN9AALDH1A1SMN1; SMN2KMT2AOPRM1
SCHEMBL2307705 0.80 SCN9A (0.39) SCN9AALDH1A1SMN1; SMN2KMT2AOPRM1
SCHEMBL2305769 0.80 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2AOPRM1OPRD1
SCHEMBL3328359 0.78 SMN1; SMN2 (0.38) SCN9AALDH1A1SMN1; SMN2KMT2AOPRM1
SCHEMBL2306628 0.78 ALDH1A1 (0.37) SCN9AALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL281494 0.77 OPRM1 (0.41) ALDH1A1SMN1; SMN2KMT2AOPRM1OPRD1
SCHEMBL2305324 0.77 OPRM1 (0.39) SCN9AALDH1A1SMN1; SMN2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2011-12-01 US disclosed
US-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
CN-101627039-A Spiro (furo [3, 2-c] pyridine-3-3 ' -indol) -2' (1'h)-one derivatives and related compounds for the treatment of sodium-channel mediated diseases, such as pain XENON PHARMACEUTICALS INC 2010-01-13 CN disclosed
EP-2076514-A1 SPIRO (FURO Ý3, 2-C¨PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2009-07-08 EP disclosed
WO-2008046049-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2008-04-17 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-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B SCN9A 38/4885ALDH1A1 866/4885SMN1; SMN2 739/4885
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B SCN9A 38/4885ALDH1A1 866/4885SMN1; SMN2 739/4885

“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.