SCHEMBL3330890

SCHEMBL3330890

COc1cc(Cl)ccc1O[C@@H](c1ccccn1)[C@]1(C(C)(C)C)CN(C(=O)O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMO O15229 7/20 0.36
RBP4 P02753 3/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 1/20 0.34
HRH1 P35367 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
SCHEMBL3325005 0.88 SLC6A4 (0.41) KDM4EALDH1A1RBP4KMT2AMAPT
SCHEMBL3325393 0.88 SLC6A4 (0.41) KDM4EALDH1A1RBP4KMT2AMAPT
SCHEMBL3327586 0.88 SLC6A4 (0.41) KDM4EALDH1A1RBP4KMT2AMAPT
SCHEMBL3329458 0.77 KDM4E (0.36) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4948250 0.75 SLC6A4 (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4948245 0.75 SLC6A4 (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3330887 0.70 EPHA2 (0.45) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9996620 0.67 REN (0.43) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL9996622 0.67 REN (0.43) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL3329277 0.66 SMN1; SMN2 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A

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 1680/4885ALDH1A1 690/4885CYP1A2 70/4885

“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.