SCHEMBL2541503

SCHEMBL2541503

CC(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.45
CYP3A5 P20815 2/20 0.45
GPR119 Q8TDV5 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
TBK1 Q9UHD2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TACR1 P25103 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1760998 0.85 CHRM2 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL12592927 0.84 MAPT (0.47) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL14593427 0.84 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL14593364 0.84 RPS6KB1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL1761023 0.84 TACR1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL28329046 0.83 MBTD1 (0.48) MAPTCYP3A4CYP3A5GPR119CHRM2
SCHEMBL1760910 0.83 TACR1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL15560791 0.83 MAPT (0.44) MAPTCYP3A4CYP3A5GPR119TBK1
SCHEMBL8115616 0.82 CYP2D6 (0.57) MAPTGPR119CHRM2CHRM4CHRM3
SCHEMBL3805489 0.82 CYP2D6 (0.57) MAPTGPR119CHRM2CHRM4CHRM3

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 2 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 disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D CACNA2D1 32/4885CACNA1B 4/4885CACNB1 5/4885

“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.