SCHEMBL16493262

SCHEMBL16493262

Cc1c(C(=O)O)c2ccccc2n1[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 9/20 0.49
▸ GPR119 Q8TDV5 3/20 0.48
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL16347151 1.00 EZH2 (0.49) EZH2GPR119CHRM2CHRM4CHRM1
SCHEMBL16376984 1.00 EZH2 (0.49) EZH2GPR119CHRM2CHRM4CHRM1
SCHEMBL16347153 1.00 EZH2 (0.49) EZH2GPR119CHRM2CHRM4CHRM1
SCHEMBL18698692 0.90 EZH2 (0.51) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16486315 0.90 EZH2 (0.51) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16486313 0.90 EZH2 (0.51) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL16376965 0.90 EZH2 (0.51) EZH2GPR119NPC1ALDH1A1MAPT
SCHEMBL17880818 0.89 GPR119 (0.48) EZH2GPR119CHRM2CHRM4CHRM1
SCHEMBL16345066 0.88 USP30 (0.44) EZH2GPR119CHRM2CHRM4CHRM1
SCHEMBL16486463 0.84 EZH2 (0.47) EZH2

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 7 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-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
US-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-30 — — 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
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 77/4885GPR119 2062/4885CHRM2 405/4885

“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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