SCHEMBL3058855

SCHEMBL3058855

CCN(CC)c1ccc(CNc2ccc(N)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.71
ALDH1A1 P00352 6/20 0.63
MAPK1 P28482 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
RECQL P46063 2/20 0.63
GFER P55789 2/20 0.63
PSMD14 O00487 1/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
PANK3 Q9H999 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL3047826 0.85 CNR2 (0.73) CNR2ALDH1A1MAPK1L3MBTL1RECQL
SCHEMBL15087675 0.85 CNR2 (0.73) CNR2ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL3058882 0.85 CNR2 (0.73) CNR2ALDH1A1MAPK1L3MBTL1GFER
SCHEMBL15064684 0.83 CNR2 (1.00) CNR2ALDH1A1MAPK1RECQLGFER
SCHEMBL3067983 0.83 CNR2 (0.71) CNR2ALDH1A1MAPK1L3MBTL1GFER
SCHEMBL2990622 0.83 CA1 (0.65) CNR2ALDH1A1MAPK1L3MBTL1GFER
Hydrochloric Acid SCHEMBL4736123 0.82 CNR2 (0.69) CNR2ALDH1A1MAPK1L3MBTL1RECQL
Hydrochloric Acid SCHEMBL3069408 0.82 CNR2 (0.69) CNR2ALDH1A1MAPK1L3MBTL1RECQL
SCHEMBL455536 0.82 MEN1 (0.50) ALDH1A1MAPK1L3MBTL1RECQLGFER
SCHEMBL5154356 0.82 MEN1 (0.50) ALDH1A1MAPK1L3MBTL1RECQLGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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 (1 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S CNR2 262/4885ALDH1A1 957/4885MAPK1 2929/4885

“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.