SCHEMBL16509683

SCHEMBL16509683

CCC1CN(Cc2ccc(OC)cc2)C(=O)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL15399271 0.90 GRM2 (0.53) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL6496941 0.84 GRM2 (0.62) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL27154092 0.84 GRM2 (0.62) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL6498337 0.84 GRM2 (0.62) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL17062495 0.83 GRM2 (0.45) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL16759600 0.83 GRM2 (0.45) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL27305160 0.81 GRM2 (0.66) GRM2GAAMMP1MMP13CMA1
SCHEMBL2293140 0.80 KMT2A (0.50) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL2290463 0.80 KMT2A (0.50) GRM2L3MBTL1ALDH1A1GAAMMP1
SCHEMBL31564563 0.80 SIRT2 (0.52) GRM2L3MBTL1ALDH1A1GAAMMP1

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 GRM2 4236/4885L3MBTL1 4532/4885ALDH1A1 172/4885

“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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