SCHEMBL13499239

SCHEMBL13499239

CC1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.66
ACHE P22303 3/20 0.58
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CHRNA7 P36544 1/20 0.50

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
SCHEMBL13079103 0.86 ALDH1A1 (0.69) SIGMAR1ACHEALDH1A1MEN1KMT2A
SCHEMBL14359428 0.84 MEN1 (0.66) SIGMAR1ALDH1A1MEN1KMT2ACHRNA7
SCHEMBL13503789 0.82 SIGMAR1 (0.46) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL9595556 0.81 KCNA3 (0.47) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL15151008 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL2608082 0.80 SIGMAR1 (0.52) SIGMAR1ACHEALDH1A1MEN1KMT2A
SCHEMBL12652353 0.78 BACE1 (0.45) SIGMAR1ACHEMEN1KMT2A
SCHEMBL7142326 0.78 SIGMAR1 (0.47) SIGMAR1ACHEALDH1A1MEN1KMT2A
SCHEMBL13985382 0.78 SIGMAR1 (0.50) SIGMAR1ACHEALDH1A1MEN1KMT2A
SCHEMBL23775098 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A

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-7666865-B2 for treating pain; STROKES; ANALGESICS; do not contain substituents that are antioxidants, tropolones or coumarins NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-23 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20090012095-A1 HUMAN N-TYPE CALCIUM CHANNEL BLOCKERS WYETH (US) 2009-01-08 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-20070185105-A1 Calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2007-08-09 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-20070185105-A1 Calcium channel blockers CACNA1S, KCNN4, CACNA1C SIGMAR1 43/4885ACHE 912/4885ALDH1A1 2714/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD SIGMAR1 2989/4885ACHE 4701/4885ALDH1A1 2354/4885
US-20090012095-A1 HUMAN N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1G, CACNA1F SIGMAR1 949/4885ACHE 814/4885ALDH1A1 4336/4885

“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.