SCHEMBL2308063

SCHEMBL2308063

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.47
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2311931 0.93 OPRM1 (0.42) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2310329 0.93 OPRM1 (0.57) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2310823 0.92 OPRM1 (0.49) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2309188 0.88 OPRM1 (0.51) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2381415 0.88 NPC1L1 (0.45) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2310630 0.87 ALDH1A1 (0.45) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2307819 0.87 OPRM1 (0.51) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2306085 0.87 OPRM1 (0.51) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2381146 0.86 CHRM2 (0.45) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2309697 0.85 OPRM1 (0.60) OPRM1HRH3HTTOPRD1LMNA

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 OPRM1 431/4885CHRM2 115/4885CHRM4 280/4885

“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.