SCHEMBL3329277

SCHEMBL3329277

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
HIF1A Q16665 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP1A2 P05177 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL3332875 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TSHRL3MBTL1CYP3A4
SCHEMBL3328458 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TSHRL3MBTL1CYP3A4
SCHEMBL5705729 0.90 PKM (0.39) SMN1; SMN2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3325335 0.87 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRCYP3A4HIF1A
SCHEMBL3327780 0.87 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRCYP3A4HIF1A
SCHEMBL26105486 0.83 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL25313968 0.79 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL3327586 0.74 SLC6A4 (0.41) ALDH1A1L3MBTL1KMT2ACYP2D6
SCHEMBL3332841 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL3329282 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRL3MBTL1KMT2A

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 5/4885ALDH1A1 690/4885TSHR 3645/4885

“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.