SCHEMBL2248067

SCHEMBL2248067

C[C@]1(Cc2ccccc2)C[C@H](COC2CN(c3ncc4c(n3)CCN(S(C)(=O)=O)C4)C2)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR5 P51681 1/20 0.33
ENPP2 Q13822 1/20 0.32
CHRM4 P08173 4/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
PDE10A Q9Y233 1/20 0.31
GRIN2B Q13224 1/20 0.30
TP53 P04637 2/20 0.30
HSP90AB1 P08238 2/20 0.30

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
SCHEMBL2248384 0.82 GRIN2B (0.42) ALDH1A1L3MBTL1CHRM4NPC1RAB9A
SCHEMBL2248064 0.79 TMEM97 (0.38) CHRM4CHRM2CHRM1CHRM3
SCHEMBL12367369 0.79 TMEM97 (0.38) CHRM4CHRM2CHRM1CHRM3
SCHEMBL3398221 0.78 GPR119 (0.35) CCR5CHRM4CHRM2CHRM1CHRM3
SCHEMBL12356460 0.77 GPR119 (0.42) ENPP2MAPT
SCHEMBL2245448 0.76 GPR119 (0.40) MAPTNPC1RAB9ALMNATP53
SCHEMBL2245181 0.76 GPR119 (0.40) MAPTNPC1RAB9ALMNATP53
SCHEMBL2243540 0.74 MAPT (0.40) ENPP2MAPTHSP90AB1
SCHEMBL2246278 0.73 MAPT (0.31) MAPTHSP90AB1
SCHEMBL3403746 0.73 MAPT (0.35) MAPTLMNAHSP90AB1

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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US claimed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ALDH1A1 1462/4885L3MBTL1 4812/4885CCR5 596/4885

“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.