SCHEMBL2540673

SCHEMBL2540673

CC(C)(C)OC(=O)NC1CCN(C(=O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 6/20 0.57
KCNA3 P22001 1/20 0.46
NAMPT P43490 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 2/20 0.42
CCR5 P51681 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
MAPK8 P45983 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PARP1 P09874 1/20 0.40
USP14 P54578 1/20 0.39
EPHX2 P34913 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
SCHEMBL2538152 0.94 NPC1L1 (0.55) NPC1L1KCNA3NAMPTCKS1BSKP1
SCHEMBL2382030 0.79 DDR1 (0.46) KMT2AKDM1AMAPK8
SCHEMBL2309756 0.78 OPRM1 (0.41) KMT2AKDM1A
SCHEMBL2307089 0.77 TDP1 (0.38) NPC1L1KMT2A
SCHEMBL2311243 0.76 LMNA (0.52) KMT2A
SCHEMBL6299819 0.75 KCNA3 (0.53) NPC1L1KCNA3NAMPTCKS1BSKP1
SCHEMBL2379745 0.74 NPC1L1 (0.46) NPC1L1
SCHEMBL2310823 0.74 OPRM1 (0.49) KMT2A
SCHEMBL2312529 0.73 TEAD1 (0.54) KMT2AEPHX2
SCHEMBL6369365 0.72 NAMPT (0.46) NPC1L1KCNA3NAMPTCKS1BSKP1

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 NPC1L1 1304/4885KCNA3 164/4885NAMPT 4012/4885

“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.