SCHEMBL19498195

SCHEMBL19498195

COC1CN(c2ccc3c(n2)CN(C(C)(C)C)C3)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.40
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MAP4K4 O95819 2/20 0.34
▸ KIF18A Q8NI77 2/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ KCNQ3 O43525 1/20 0.31
▸ KCNQ2 O43526 1/20 0.31

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
SCHEMBL17624443 0.84 CCNC (0.41) PDE10ACCNCCDK8MAP4K4PIK3CA
SCHEMBL19498196 0.84 CHRM3 (0.33) PDE10AMAP4K4
SCHEMBL19498569 0.83 HPGDS (0.34) PDE10A
SCHEMBL19504486 0.80 PDE10A (0.37) PDE10ACCNCCDK8MAP4K4
SCHEMBL19504484 0.80 PDE10A (0.37) PDE10ACCNCCDK8MAP4K4PIK3CA
SCHEMBL19498172 0.78 MAPT (0.35) PDE10ACNR2KCNQ3KCNQ2
SCHEMBL19498181 0.78 HTR2A (0.42) —
SCHEMBL19498194 0.74 GAA (0.43) CNR2
SCHEMBL19498187 0.71 DRD2 (0.37) PDE10A
SCHEMBL19498162 0.69 CYP1A2 (0.32) —

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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 — — 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 PDE10A 3114/4885CCNC 4074/4885CDK8 1036/4885

“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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