SCHEMBL17624443

SCHEMBL17624443

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ MAP4K4 O95819 2/20 0.36
▸ HTR3E A5X5Y0 2/20 0.33
▸ HTR3B O95264 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HTR3D Q70Z44 2/20 0.33
▸ HTR3C Q8WXA8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL19498195 0.84 PDE10A (0.40) CCNCCDK8PDE10AMAP4K4PIK3CA
SCHEMBL19504486 0.83 PDE10A (0.37) CCNCCDK8PDE10AMAP4K4HRH3
SCHEMBL19504484 0.83 PDE10A (0.37) CCNCCDK8PDE10AMAP4K4HRH3
SCHEMBL17624445 0.81 HTR2A (0.36) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL17624444 0.76 HTR2A (0.45) MAP4K4HTR3EHTR3BHTR3AHTR3D
SCHEMBL17624371 0.75 LMNA (0.38) HTR3AHRH4
SCHEMBL17624437 0.72 HRH4 (0.46) CCNCCDK8HTR3EHTR3BHTR3A
SCHEMBL22153185 0.69 PDE10A (0.41) CCNCCDK8PDE10AMAP4K4PIK3CA
SCHEMBL17624393 0.68 HTR1D (0.39) PDE10AHRH4HTR2AHTR2C
SCHEMBL25226170 0.67 PDE10A (0.42) CCNCCDK8PDE10AMAP4K4PIK3CA

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 2 patents. 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
WO-2016044604-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 CCNC 4074/4885CDK8 1036/4885PDE10A 3114/4885

“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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