SCHEMBL3331682

SCHEMBL3331682

CC(C)(C)[C@@]1(C(=O)c2ccccn2)CN(C(=O)O)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
RBP4 P02753 2/20 0.36
PTAFR P25105 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 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 0.83 SMN1; SMN2 (0.40) L3MBTL1EPHX2ALDH1A1LMNAHPGD
SCHEMBL3332841 0.83 SMN1; SMN2 (0.40) L3MBTL1EPHX2ALDH1A1LMNAHPGD
SCHEMBL26102567 0.75 HPGD (0.32) HPGDSMN1; SMN2PDK2
SCHEMBL3329458 0.74 KDM4E (0.36) L3MBTL1EPHX2ALDH1A1LMNAHPGD
SCHEMBL19096874 0.71 EPHX2 (0.62) L3MBTL1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL3328737 0.68 TSHR (0.33) EPHX2ALDH1A1LMNAHPGDHSD17B10
SCHEMBL3329277 0.68 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL3328458 0.68 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL3332875 0.68 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL17799020 0.66 HSD11B1 (0.42) ALDH1A1HPGDHSD17B10USP2TSHR

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 L3MBTL1 3961/4885EPHX2 3467/4885ALDH1A1 690/4885

“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.