SCHEMBL13430574

SCHEMBL13430574

COc1ccc2c(c1)CCN1Cc3cc(OC)c(O)cc3CC21

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.83
DRD1 P21728 12/20 0.83
DRD5 P21918 2/20 0.78
DRD3 P35462 2/20 0.78
DRD4 P21917 1/20 0.67
RAD52 P43351 1/20 0.63
HTR1A P08908 1/20 0.63

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
SCHEMBL16627009 1.00 DRD2 (0.83) DRD2DRD1DRD5DRD3DRD4
SCHEMBL16627062 1.00 DRD2 (0.83) DRD2DRD1DRD5DRD3DRD4
SCHEMBL14234709 0.92 RAD52 (0.75) DRD2DRD1DRD5DRD3DRD4
SCHEMBL14235263 0.92 RAD52 (0.75) DRD2DRD1DRD5DRD3DRD4
SCHEMBL18626358 0.91 DRD2 (0.69) DRD2DRD1DRD5DRD3DRD4
SCHEMBL14235140 0.91 DRD1 (1.00) DRD2DRD1DRD5DRD3DRD4
SCHEMBL14703834 0.88 DRD1 (1.00) DRD2DRD1DRD5DRD3RAD52
Coreximine SCHEMBL30473249 0.88 DRD1 (1.00) DRD2DRD1DRD5DRD3RAD52
SCHEMBL14703833 0.88 DRD1 (1.00) DRD2DRD1DRD5DRD3RAD52
SCHEMBL30298995 0.88 DRD1 (1.00) DRD2DRD1DRD5DRD3RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154968-B1 OXIDATIVE DEAROMATIZATION OF BERBINES SpecGx LLC (US) 2020-08-05 EP disclosed
US-9856251-B2 Substituted berbines and processes for their synthesis MALLINCKRODT LLC (US) 2018-01-02 US disclosed
US-9593111-B2 Oxidative dearomatization of berbines MALLINCKRODT LLC (US) 2017-03-14 US disclosed
US-20160347747-A1 SUBSTITUTED BERBINES AND PROCESSES FOR THEIR SYNTHESIS MALLINCKRODT INC. 2016-12-01 US disclosed
US-20160347747-A1 SUBSTITUTED BERBINES AND PROCESSES FOR THEIR SYNTHESIS MALLINCKRODT INC. 2016-12-01 US disclosed
US-9458109-B2 Substituted berbines and processes for their synthesis MALLINCKRODT LLC (US) 2016-10-04 US disclosed
US-9458109-B2 Substituted berbines and processes for their synthesis MALLINCKRODT LLC (US) 2016-10-04 US disclosed
WO-2015191837-A1 OXIDATIVE DEAROMATIZATION OF BERBINES MALLINCKRODT LLC (US) 2015-12-17 WO 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
WO-2010028004-A2 SUBSTITUTED BERBINES AND PROCESSES FOR THEIR SYNTHESIS MALLINCKRODT INC. (US) 2010-03-11 WO disclosed
US-20100056789-A1 Substituted Berbines and Processes for their Synthesis MALLINCKRODT INC. (US) 2010-03-04 US disclosed
US-20100056789-A1 Substituted Berbines and Processes for their Synthesis MALLINCKRODT INC. (US) 2010-03-04 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 (4 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-20160347747-A1 SUBSTITUTED BERBINES AND PROCESSES FOR THEIR SYNTHESIS TYMS, BLVRB, DHPS DRD2 1069/4885DRD1 1322/4885DRD5 1340/4885
US-20150361076-A1 OXIDATIVE DEAROMATIZATION OF BERBINES UNG, OGG1, ALKBH2 DRD2 1773/4885DRD1 1934/4885DRD5 1788/4885
US-20100056789-A1 Substituted Berbines and Processes for their Synthesis TYMS, BLVRB, DHPS DRD2 1069/4885DRD1 1322/4885DRD5 1340/4885
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP DRD2 2522/4885DRD1 2936/4885DRD5 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.