SCHEMBL2309876

SCHEMBL2309876

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
NPC1L1 Q9UHC9 5/20 0.43
TACR1 P25103 7/20 0.42
P2RY14 Q15391 1/20 0.41
F2R P25116 1/20 0.40
RBP4 P02753 1/20 0.40
LIPE Q05469 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2313548 0.93 ALDH1A1 (0.44) CHRM2CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL2307336 0.90 CHRM4 (0.48) ADAMTS5TACR1RBP4GAARAB9A
SCHEMBL2311074 0.89 RAB9A (0.46) ALDH1A1ADAMTS5NPC1L1TACR1GAA
SCHEMBL2314391 0.83 SIGMAR1 (0.51) ALDH1A1TACR1GAA
SCHEMBL2310630 0.81 ALDH1A1 (0.45) CHRM2CHRM1CHRM3ALDH1A1ADAMTS5
SCHEMBL2538487 0.81 EPHX2 (0.49) ALDH1A1TACR1LIPEGAARAB9A
SCHEMBL2306511 0.81 LMNA (0.50) ALDH1A1
SCHEMBL2309856 0.81 LMNA (0.44) ALDH1A1NPC1L1GAARAB9A
SCHEMBL2312344 0.80 ALDH1A1 (0.54) ALDH1A1ADAMTS5GAARAB9A
SCHEMBL2359491 0.79 PKM (0.58) ALDH1A1GAA

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 6 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
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US 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 CHRM2 115/4885CHRM5 252/4885CHRM1 91/4885

“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.