SCHEMBL4277872

SCHEMBL4277872

C[SiH](C)C(O)(C1CNCCN1C(c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
USP2 O75604 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4153281 0.72 MEN1 (0.53) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL4153276 0.72 MEN1 (0.53) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL21830993 0.72 OPRD1 (0.39) OPRD1OPRM1OPRK1OPRL1CYP2D6
SCHEMBL9842563 0.71 OPRD1 (0.43) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL4275684 0.70 MEN1 (0.38) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL4281028 0.69 GRM7 (0.38) MEN1KMT2AUSP2
SCHEMBL21831878 0.69 OPRD1 (0.37) OPRD1CYP2D6
SCHEMBL9530935 0.68 MEN1 (0.51) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL5623535 0.68 MEN1 (0.51) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL7317029 0.68 MEN1 (0.51) OPRD1MEN1KMT2AOPRM1OPRK1

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 1 patent. 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 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 OPRD1 229/4885MEN1 3119/4885KMT2A 2235/4885

“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.