SCHEMBL16625804

SCHEMBL16625804

COc1cc2c(cc1O)CC1c3ccc(CO)cc3CCN1C2

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.73
DRD1 P21728 15/20 0.73
DRD3 P35462 2/20 0.73
DRD5 P21918 1/20 0.73
HTR1A P08908 1/20 0.59
RAD52 P43351 1/20 0.59
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CASP1 P29466 1/20 0.56
CYP2C19 P33261 1/20 0.56
APAF1 O14727 1/20 0.56
BCHE P06276 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL16625827 1.00 DRD2 (0.73) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL16625828 1.00 DRD2 (0.73) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL16627009 0.85 DRD2 (0.83) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL16627062 0.85 DRD2 (0.83) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL13430574 0.85 DRD2 (0.83) DRD2DRD1DRD3DRD5HTR1A
Coreximine SCHEMBL30473249 0.85 DRD1 (1.00) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL14703834 0.85 DRD1 (1.00) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL14703870 0.85 DRD1 (1.00) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL14703833 0.85 DRD1 (1.00) DRD2DRD1DRD3DRD5HTR1A
SCHEMBL30298995 0.85 DRD1 (1.00) DRD2DRD1DRD3DRD5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593111-B2 Oxidative dearomatization of berbines MALLINCKRODT LLC (US) 2017-03-14 US disclosed
US-20150361076-A1 OXIDATIVE DEAROMATIZATION OF BERBINES STRATATECH CORPORATION 2015-12-17 US disclosed
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 (2 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-20150361076-A1 OXIDATIVE DEAROMATIZATION OF BERBINES UNG, OGG1, ALKBH2 DRD2 1773/4885DRD1 1934/4885DRD3 2287/4885
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP DRD2 2522/4885DRD1 2936/4885DRD3 3512/4885

“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.