SCHEMBL16486313

SCHEMBL16486313

COC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.51
▸ EED O75530 1/20 0.48
▸ RBBP4 Q09028 1/20 0.48
▸ SUZ12 Q15022 1/20 0.48
▸ AEBP2 Q6ZN18 1/20 0.48
▸ GPR119 Q8TDV5 2/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ EZH1 Q92800 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18698692 1.00 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16486315 1.00 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16376965 1.00 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16347153 0.90 EZH2 (0.49) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16376984 0.90 EZH2 (0.49) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16347151 0.90 EZH2 (0.49) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16493262 0.90 EZH2 (0.49) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16347836 0.89 USP30 (0.42) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16493418 0.87 EZH2 (0.50) EZH2KCNH2EZH1
SCHEMBL17880818 0.87 GPR119 (0.48) EZH2EEDRBBP4SUZ12AEBP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 — — US disclosed
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 — — US disclosed
US-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-30 — — US disclosed
EP-3033334-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-06-22 — — EP disclosed
WO-2015023915-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-02-19 — — WO disclosed
WO-2015023915-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-02-19 — — 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-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF INMT, HNMT, NNMT EZH2 77/4885EED 1010/4885RBBP4 822/4885

“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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