SCHEMBL16625816

SCHEMBL16625816

CCC[C@@H]1c2cc(OC)c(O)cc2C[C@H]2c3ccc(CO)cc3CCN12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.45
DRD2 P14416 8/20 0.45
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL16625796 0.92 DRD1 (0.47) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16627029 0.88 DRD1 (0.53) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16625838 0.87 KCNH2 (0.56) DRD1DRD2KCNH2
SCHEMBL16625798 0.86 MAOA (0.52) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16625810 0.82 ALDH1A1 (0.47) DRD1DRD2DRD5DRD3TSHR
SCHEMBL16625809 0.82 DRD1 (0.46) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16625801 0.82 ALDH1A1 (0.47) DRD1DRD2DRD5DRD3TSHR
SCHEMBL16625802 0.80 USP2 (0.47) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16625813 0.80 USP2 (0.47) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16627001 0.80 DRD1 (0.54) DRD1DRD2DRD5DRD3ADRA1D

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 DRD1 2936/4885DRD2 2522/4885DRD5 3036/4885

“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.