SCHEMBL3328737

SCHEMBL3328737

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
OPRK1 P41145 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
STAT6 P42226 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MGLL Q99685 2/20 0.33
IDH1 O75874 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL3329458 0.83 KDM4E (0.36) TSHRHIF1AOPRK1KDM4ECYP3A4
SCHEMBL3330890 0.78 KDM4E (0.40) KDM4ECYP2C9SLC6A3ALDH1A1KMO
SCHEMBL3329277 0.71 SMN1; SMN2 (0.43) TSHRHIF1AOPRK1CYP3A4CYP2C9
SCHEMBL3332875 0.71 SMN1; SMN2 (0.43) TSHRHIF1AOPRK1CYP3A4CYP2C9
SCHEMBL3328458 0.71 SMN1; SMN2 (0.43) TSHRHIF1AOPRK1CYP3A4CYP2C9
SCHEMBL4942959 0.71 ADORA2B (0.34) TSHRHIF1AOPRK1KDM4ECYP3A4
SCHEMBL4942968 0.71 ADORA2B (0.34) TSHRHIF1AOPRK1KDM4ECYP3A4
SCHEMBL3331682 0.68 L3MBTL1 (0.42) TSHRHIF1AKDM4ELMNAALDH1A1
SCHEMBL2340874 0.68 NOS2 (0.39) TSHRHIF1AOPRK1KDM4ECYP3A4
SCHEMBL25313968 0.67 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 TSHR 3645/4885HIF1A 4352/4885OPRK1 26/4885

“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.