SCHEMBL2308976

SCHEMBL2308976

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
CACNA2D1 P54289 9/20 0.54
CACNB1 Q02641 9/20 0.54
CACNA1B Q00975 8/20 0.54
CACNA1C Q13936 6/20 0.54
CACNA1H O95180 1/20 0.54
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.48
CACNA1G O43497 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNA1A O00555 1/20 0.47
MAOB P27338 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2313152 0.94 CACNA2D1 (0.59) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2305958 0.94 CACNA2D1 (0.59) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2310886 0.93 USP2 (0.55) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2306889 0.92 CACNA2D1 (0.57) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2312417 0.92 CACNA2D1 (0.57) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2312090 0.86 CACNA2D1 (0.55) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2314289 0.86 CACNA2D1 (0.55) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2357962 0.84 DPP8 (0.43) USP2ALDH1A1MAPK1CACNA2D1CACNB1
SCHEMBL2312141 0.82 SLC6A9 (0.52) CACNA2D1CACNB1CACNA1CCACNA1A
SCHEMBL2310687 0.82 NPY2R (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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 (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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D USP2 3774/4885ALDH1A1 1622/4885MAPK1 1458/4885

“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.