SCHEMBL1673387

SCHEMBL1673387

COc1ccc([C@H](NC(=O)O)[C@H](N)CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
CNR2 P34972 2/20 0.43
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GPR88 Q9GZN0 1/20 0.40
AOC3 Q16853 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRM4 Q14833 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B2 P37059 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KIF11 P52732 2/20 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
SCHEMBL1673371 0.85 NPSR1 (0.48) NPSR1CNR2LMNAGAAALDH1A1
SCHEMBL1442862 0.80 GPR88 (0.48) NPSR1CNR2GAAALDH1A1GPR88
SCHEMBL836812 0.77 NPSR1 (0.48) NPSR1CNR2LMNAGAAALDH1A1
SCHEMBL16164204 0.76 NPSR1 (0.49) NPSR1CNR2GAAALDH1A1GPR88
SCHEMBL15674956 0.76 GPR88 (0.50) NPSR1CNR2ALDH1A1GPR88AOC3
SCHEMBL1443078 0.75 KMT2A (0.47) NPSR1CNR2GAAALDH1A1GPR88
SCHEMBL4583470 0.73 NPSR1 (0.50) NPSR1CNR2GAAALDH1A1GPR88
SCHEMBL4943267 0.72 NPSR1 (0.46) NPSR1CNR2GPR88AOC3HSD17B2
SCHEMBL15101521 0.70 ALDH1A1 (0.50) CNR2GAAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7835535 0.70 NPSR1 (0.49) NPSR1LMNAALDH1A1GRM8GRM6

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-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS NPSR1 3094/4885CNR2 2749/4885LMNA 3569/4885

“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.