SCHEMBL3329458

SCHEMBL3329458

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
IDH1 O75874 2/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 4/20 0.36
TSHR P16473 3/20 0.36
HIF1A Q16665 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 2/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
STAT6 P42226 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL3329277 0.83 SMN1; SMN2 (0.43) ALDH1A1TSHRHIF1AUSP2CYP3A4
SCHEMBL3332875 0.83 SMN1; SMN2 (0.43) ALDH1A1TSHRHIF1AUSP2CYP3A4
SCHEMBL3328458 0.83 SMN1; SMN2 (0.43) ALDH1A1TSHRHIF1AUSP2CYP3A4
SCHEMBL3330890 0.77 KDM4E (0.40) KDM4EALDH1A1CYP2C9SLC6A3CYP1A2
SCHEMBL5705729 0.76 PKM (0.39) KDM4EALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL26105486 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL3331682 0.74 L3MBTL1 (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3325335 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRHIF1AUSP2
SCHEMBL3327780 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRHIF1AUSP2
SCHEMBL25313968 0.73 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2

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 KDM4E 1680/4885IDH1 4050/4885ALDH1A1 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.