SCHEMBL2314565

SCHEMBL2314565

CC1(C)C(=O)NCCN1Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 1/20 0.37
SCN9A Q15858 1/20 0.37
POLB P06746 2/20 0.36

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
SCHEMBL15416003 0.77 GAA (0.44) ALDH1A1MEN1MAPTKMT2AEPHX2
SCHEMBL27849826 0.71 HSD17B10 (0.39) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL16813 0.70 PKM (0.41) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL22679235 0.70 EPHX2 (0.33) EPHX2SMN1; SMN2TSHRSCN9A
SCHEMBL1126125 0.69 GAA (0.50) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL2543030 0.66 CHRM2 (0.38) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL18202990 0.65 HTT (0.62) HSD17B10ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2026093 0.64 HTT (0.66) HSD17B10ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL8443681 0.64 MEN1 (0.59) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL12878617 0.64 HSD17B10 (0.44) HSD17B10ALDH1A1MEN1MAPTKMT2A

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 4 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
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 HSD17B10 2995/4885ALDH1A1 1622/4885MEN1 1085/4885

“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.