SCHEMBL17815299

SCHEMBL17815299

Cc1ccc(O)c2c1CN(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
DRD2 P14416 4/20 0.44
DRD1 P21728 4/20 0.44
DRD5 P21918 4/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.42
ERN1 O75460 1/20 0.42
MAOB P27338 3/20 0.38
NOTUM Q6P988 1/20 0.37
QDPR P09417 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL17815212 0.78 CYP2C19 (0.39) MAOADRD2DRD1DRD5DRD3
SCHEMBL13184293 0.78 ADRA2A (0.53)
SCHEMBL17068027 0.76 MAOA (0.48) MAOADRD2DRD1DRD5DRD3
SCHEMBL21195922 0.76 MAOA (0.48) MAOADRD2DRD1DRD5DRD3
SCHEMBL17815390 0.76 ALDH1A1 (0.44) MAOAMAOBNOTUMKDM4E
SCHEMBL17815392 0.75 DRD1 (0.46) MAOADRD2DRD1DRD5DRD3
SCHEMBL19729084 0.75 SLC6A2 (0.40) MAOADRD1MAOBNOTUMKDM4E
SCHEMBL22993136 0.74 SLC6A2 (0.38) MAOADRD2DRD1DRD5DRD3
SCHEMBL13184287 0.74 ADRA2A (0.53)
SCHEMBL12909320 0.73 BCL2L1 (0.46) MAOAMAOBKDM4E

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-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 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-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX MAOA 3022/4885DRD2 2756/4885DRD1 3002/4885

“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.