SCHEMBL23672116

SCHEMBL23672116

CCc1ccnc2c1c(C(=O)O)c(C)n2C(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.42
▸ MMP13 P45452 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL22401193 0.83 GPR119 (0.45) GPR119MMP13
SCHEMBL22401192 0.83 GPR119 (0.45) GPR119MMP13
SCHEMBL29032071 0.83 EZH2 (0.43) —
SCHEMBL16344622 0.78 EZH2 (0.43) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL23672113 0.78 GPR119 (0.45) GPR119
SCHEMBL23672111 0.78 GPR119 (0.45) GPR119
SCHEMBL28662673 0.76 EZH2 (0.35) —
SCHEMBL16347151 0.75 EZH2 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL16376984 0.75 EZH2 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL16493262 0.75 EZH2 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1

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-20210230148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2021-07-29 — — 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-20210230148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, TET2 GPR119 3613/4885MMP13 1280/4885NPC1 3372/4885

“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.

Send feedback