SCHEMBL24392146

SCHEMBL24392146

COCCNC1CCN(c2ncnn3c(Cl)cc(C)c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ MAP3K6 O95382 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ VCP P55072 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ CCNK O75909 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ SMO Q99835 2/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ MAPK14 Q16539 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
SCHEMBL24392145 0.83 SMYD3 (0.34) OPRK1VCPIRAK4CNR1AKT1
SCHEMBL24392676 0.82 CSNK2A2 (0.34) OPRK1CSNK2A2CSNK2A1AKT1
SCHEMBL24392682 0.81 OPRK1 (0.34) OPRK1CNR1AKT1
SCHEMBL24391717 0.76 S1PR1 (0.32) CNR1
SCHEMBL24391888 0.75 CHRM4 (0.42) AKT1
SCHEMBL24393095 0.71 HRH4 (0.38) OPRK1
SCHEMBL24392137 0.71 PDE2A (0.39) —
SCHEMBL24391905 0.69 JAK2 (0.34) —
SCHEMBL24391908 0.69 KIT (0.33) AKT1
SCHEMBL24392094 0.69 PDE2A (0.33) —

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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 OPRK1 1578/4885CSNK2A2 918/4885CSNK2A1 777/4885

“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.

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