SCHEMBL22435148

SCHEMBL22435148

CC(C)(C)OC(=O)N1CCC2(CCCN2C[C@@H]2CC[C@H](n3ccc4c(N=C(c5ccccc5)c5ccccc5)nccc43)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ NAMPT P43490 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ NPC1L1 Q9UHC9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGDS O60760 1/20 0.32

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
SCHEMBL19344032 1.00 OPRD1 (0.35) OPRD1OPRK1NAMPTKDM4EPKM
SCHEMBL23584752 0.87 PRMT5 (0.41) —
SCHEMBL23584563 0.86 CNR2 (0.37) OPRD1OPRK1NAMPTFAAHCNR2
SCHEMBL19344013 0.85 PRMT5 (0.34) OPRD1OPRK1NAMPTKDM4EPKM
SCHEMBL19344407 0.77 PRMT5 (0.43) OPRD1OPRK1NAMPTFAAHGAA
SCHEMBL19343917 0.77 PRMT5 (0.53) CNR2GPR119
SCHEMBL19343827 0.77 PRMT5 (0.53) CNR2GPR119
SCHEMBL23584770 0.76 PRMT5 (0.43) OPRD1OPRK1NAMPTFAAHCNR2
SCHEMBL23584690 0.76 PRMT5 (0.52) CNR2GPR119
SCHEMBL22434982 0.75 PRMT5 (0.39) —

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-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-17 — — 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-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 OPRD1 4238/4885OPRK1 3484/4885NAMPT 172/4885

“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.

Send feedback