SCHEMBL17366551

SCHEMBL17366551

CC(C1CCN(C(=O)OC(C)(C)C)CC1)n1cc(C(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.49
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCH P24723 1/20 0.44
▸ PRKCE Q02156 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 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
SCHEMBL16493262 0.79 EZH2 (0.49) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL16376984 0.79 EZH2 (0.49) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL16347151 0.79 EZH2 (0.49) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL16347153 0.79 EZH2 (0.49) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL26119737 0.78 GPR119 (0.44) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL17880818 0.77 GPR119 (0.48) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL1630726 0.76 RAB9A (0.50) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL24621773 0.75 GPR119 (0.60) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL34469563 0.75 MAPT (0.45) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL27175695 0.74 PRKCG (0.60) GPR119CHRM2CHRM4CHRM1CHRM3

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-20150376190-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-31 — — US disclosed
US-20150376190-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-31 — — 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-20150376190-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF EHMT2, EHMT1, DOT1L GPR119 3760/4885CHRM2 3250/4885CHRM4 3815/4885

“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