SCHEMBL3619904

SCHEMBL3619904

CN1CC2CC1CN2c1ccc(N)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.46
KCNH2 Q12809 6/20 0.46
PARP1 P09874 2/20 0.43
BRAF P15056 1/20 0.38
IDO1 P14902 1/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL29745052 0.75 CHRNA7 (0.44) CHRNA7KCNH2PARP1
SCHEMBL23123138 0.75 CHRNA7 (0.44) CHRNA7KCNH2PARP1
SCHEMBL23122838 0.75 CHRNA7 (0.44) CHRNA7KCNH2PARP1
SCHEMBL23123423 0.75 CHRNA7 (0.44) CHRNA7KCNH2PARP1
SCHEMBL15790567 0.72 CHRNA7 (0.51) CHRNA7KCNH2PARP1
SCHEMBL19381894 0.72 CHRNA7 (0.58) CHRNA7KCNH2PARP1
SCHEMBL26235665 0.72 CHRNA7 (0.58) CHRNA7KCNH2PARP1
SCHEMBL3413859 0.71 MAPT (0.45) CHRNA7KCNH2
SCHEMBL30912434 0.71 MAPT (0.45) CHRNA7KCNH2
SCHEMBL30912529 0.71 MAPT (0.45) CHRNA7KCNH2

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-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS CHRNA7 3236/4885KCNH2 2163/4885PARP1 4586/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 CHRNA7 3465/4885KCNH2 1884/4885PARP1 4518/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 CHRNA7 1782/4885KCNH2 1222/4885PARP1 3718/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 CHRNA7 3465/4885KCNH2 1884/4885PARP1 4518/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS CHRNA7 3236/4885KCNH2 2163/4885PARP1 4586/4885

“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.