SCHEMBL1361403

SCHEMBL1361403

COc1cccc2c1CC(O)C(NC(=O)CCl)C2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.65
MTNR1B P49286 9/20 0.65
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ACHE P22303 2/20 0.46
EPHX2 P34913 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL1361406 1.00 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1361408 1.00 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8363250 1.00 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL10756938 0.95 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8365040 0.81 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7741928 0.81 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7737294 0.81 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL55491 0.79 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1360412 0.79 HTR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1361309 0.79 HTR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067410-B2 Phenolic and catecholic amines and prodrugs thereof H. LUNDBECK A/S (DK) 2011-11-29 US disclosed
US-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-12-31 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-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF COMT, PNMT, TYR MTNR1A 364/4885MTNR1B 297/4885CYP1A2 162/4885

“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.