SCHEMBL3332841

SCHEMBL3332841

CC(C)(C)[C@@]1(C(=O)c2ccccc2)CN(C(=O)O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.39
PHGDH O43175 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3329282 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPHGDHHPGDTSHR
SCHEMBL3329277 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL3328458 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL3328399 0.70
SCHEMBL7522104 0.69 ALDH1A1 (0.43) SMN1; SMN2LMNAPHGDHHPGDTSHR
SCHEMBL28464931 0.68 USP2 (0.36) SMN1; SMN2
SCHEMBL25313968 0.67 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL5705729 0.67 PKM (0.39) SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL16796555 0.67 CASP6 (0.35) SMN1; SMN2HPGDGAAEPHX2ALDH1A1
SCHEMBL16796554 0.67 CASP6 (0.35) SMN1; SMN2HPGDGAAEPHX2ALDH1A1

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-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 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-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B SMN1; SMN2 5/4885LMNA 1867/4885PHGDH 3509/4885

“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.