SCHEMBL16625798

SCHEMBL16625798

COc1cc2c(cc1O)CC1c3ccc(CO)cc3CCN1C2C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
DRD1 P21728 12/20 0.48
DRD2 P14416 12/20 0.48
DRD3 P35462 3/20 0.47
DRD5 P21918 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL16625796 0.88 DRD1 (0.47) DRD1DRD2DRD3DRD5KDM4E
SCHEMBL16625816 0.86 DRD1 (0.45) DRD1DRD2DRD3DRD5ADRA1D
SCHEMBL16627000 0.86 DRD1 (0.57) MAOADRD1DRD2DRD3DRD5
SCHEMBL16625810 0.85 ALDH1A1 (0.47) DRD1DRD2DRD3DRD5ALDH1A1
SCHEMBL16625809 0.85 DRD1 (0.46) MAOADRD1DRD2DRD3DRD5
SCHEMBL16625801 0.85 ALDH1A1 (0.47) DRD1DRD2DRD3DRD5ALDH1A1
SCHEMBL16625838 0.84 KCNH2 (0.56) DRD1DRD2KDM4EALDH1A1
SCHEMBL16625802 0.84 USP2 (0.47) MAOADRD1DRD2DRD3DRD5
SCHEMBL16625813 0.84 USP2 (0.47) MAOADRD1DRD2DRD3DRD5
SCHEMBL16625804 0.81 DRD2 (0.73) DRD1DRD2DRD3DRD5KDM4E

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-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 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-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP MAOA 983/4885DRD1 2936/4885DRD2 2522/4885

“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.