SCHEMBL13547191

SCHEMBL13547191

CN[C@@H]1COCCN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ FKBP1A P62942 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ PDE1A P54750 3/20 0.41
▸ PDE1B Q01064 3/20 0.41
▸ PDE1C Q14123 3/20 0.41
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL13547190 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1GAAGRM2FKBP1A
SCHEMBL3618418 0.86 MAPK1 (0.47) SMN1; SMN2MAPK1GAAFKBP1ATSHR
SCHEMBL3618274 0.86 MAPK1 (0.47) SMN1; SMN2MAPK1GAAFKBP1ATSHR
SCHEMBL14172059 0.85 HDAC1 (0.43) MAPK1GAATSHRPOLBKDM4E
SCHEMBL3610793 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1GAAGRM2FKBP1A
SCHEMBL3611571 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1GAAGRM2FKBP1A
SCHEMBL14172061 0.82 GRM2 (0.39) GAAGRM2KDM4E
SCHEMBL14172120 0.80 PIK3C3 (0.37) POLBKDM4E
SCHEMBL14218347 0.79 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1TSHR
SCHEMBL14218316 0.79 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1TSHR

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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 — — 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 SMN1; SMN2 3397/4885MAPK1 3643/4885GAA 14/4885

“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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