SCHEMBL3327586

SCHEMBL3327586

COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@]1(C(C)(C)C)CN(C(=O)O)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A3 Q01959 5/20 0.41
KCNH2 Q12809 1/20 0.41
HRH1 P35367 1/20 0.41
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RBP4 P02753 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 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
SCHEMBL3325393 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL3325005 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL3330890 0.88 KDM4E (0.40) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL3328458 0.74 SMN1; SMN2 (0.43) CYP2D6ALDH1A1L3MBTL1KMT2A
SCHEMBL3329277 0.74 SMN1; SMN2 (0.43) CYP2D6ALDH1A1L3MBTL1KMT2A
SCHEMBL3332875 0.74 SMN1; SMN2 (0.43) CYP2D6ALDH1A1L3MBTL1KMT2A
SCHEMBL9996622 0.73 REN (0.43) THRBLMNAMAPTKMT2A
SCHEMBL9996620 0.73 REN (0.43) THRBLMNAMAPTKMT2A
SCHEMBL4942310 0.72 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3KCNH2HRH1
SCHEMBL4943572 0.72 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3KCNH2HRH1

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 SLC6A4 113/4885SLC6A2 109/4885SLC6A3 98/4885

“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.