SCHEMBL4278749

SCHEMBL4278749

CN1CCC(C(=O)N2CCN(C(=O)C(C)(N)C(c3ccccc3)c3ccccc3)CC2)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.40
NPY1R P25929 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 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
SCHEMBL5182454 0.83 HSD11B1 (0.43) HSD11B1KMT2AMEN1OPRM1OPRD1
SCHEMBL14289421 0.76 HSD11B1 (0.79) HSD11B1KMT2AMEN1OPRM1OPRD1
SCHEMBL18390864 0.76 HSD11B1 (0.73) HSD11B1KMT2AMEN1OPRM1OPRD1
SCHEMBL4270394 0.76 ALDH1A1 (0.49) KMT2AMEN1NPSR1ALDH1A1CHRM3
SCHEMBL4278102 0.74 KMT2A (0.72) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL18390861 0.74 MEN1 (0.69) HSD11B1KMT2AMEN1OPRM1OPRD1
SCHEMBL18390860 0.74 MEN1 (0.74) HSD11B1KMT2AMEN1OPRM1OPRD1
SCHEMBL2790450 0.74 CACNA2D1 (0.55) HSD11B1KMT2AMEN1
SCHEMBL4273020 0.73 CACNA2D1 (0.62) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL4278754 0.73 HSD11B1 (0.47) HSD11B1KMT2AMEN1OPRM1OPRD1

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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US claimed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP claimed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO claimed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 HSD11B1 2922/4885KMT2A 2235/4885MEN1 3119/4885

“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.