SCHEMBL10277925

SCHEMBL10277925

COc1ccc(C)c2c1C(=O)C[C@@H](NC(C)=O)CC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.56
MTNR1B P49286 7/20 0.56
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
POLL Q9UGP5 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
SCHEMBL2062133 0.87 MTNR1A (0.55) MTNR1AMTNR1BKDM4ELMNAPOLB
SCHEMBL2062138 0.87 MTNR1A (0.55) MTNR1AMTNR1BKDM4ELMNAPOLB
SCHEMBL11496541 0.79 MTNR1A (0.72) MTNR1AMTNR1BMAPTCA1CA2
SCHEMBL21715398 0.78 MTNR1A (0.56) MTNR1AMTNR1BKDM4ELMNAPOLB
SCHEMBL11041746 0.73 MTNR1A (0.64) MTNR1AMTNR1BMAPTCA1CA2
SCHEMBL7658012 0.72 MTNR1A (0.54) MTNR1AMTNR1BKDM4ELMNAPOLB
SCHEMBL6075910 0.72 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3410798 0.72 KDM4E (0.76) KDM4ELMNAMAPTALDH1A1GLA
SCHEMBL7021164 0.72 MTNR1A (1.00) MTNR1AMTNR1BMAPTCA1CA2
SCHEMBL9731034 0.72 MTNR1A (1.00) MTNR1AMTNR1BMAPTCA1CA2

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-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 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-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MTNR1A 2284/4885MTNR1B 1331/4885KDM4E 729/4885

“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.