SCHEMBL13430577

SCHEMBL13430577

COc1ccc2c(c1)CCN1C(C3CC3)c3cc(OC)c(O)cc3C[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.57
DRD2 P14416 9/20 0.57
DRD5 P21918 3/20 0.48
DRD3 P35462 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD4 P21917 1/20 0.47
MAOA P21397 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 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
SCHEMBL16627010 0.96 DRD1 (0.55) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL13430580 0.96 DRD1 (0.55) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16627000 0.86 DRD1 (0.57) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16627001 0.83 DRD1 (0.54) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16625809 0.83 DRD1 (0.46) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL16627026 0.82 DRD1 (0.53) DRD1DRD2DRD5DRD3ADRA1A
SCHEMBL16627024 0.82 DRD1 (0.53) DRD1DRD2DRD5DRD3ADRA1A
SCHEMBL16627029 0.82 DRD1 (0.53) DRD1DRD2DRD5DRD3ADRA1D
SCHEMBL11753989 0.81 RAD52 (0.57) DRD1DRD2DRD5DRD3
SCHEMBL11750868 0.81 RAD52 (0.57) DRD1DRD2DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856251-B2 Substituted berbines and processes for their synthesis MALLINCKRODT LLC (US) 2018-01-02 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-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 (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-20160347747-A1 SUBSTITUTED BERBINES AND PROCESSES FOR THEIR SYNTHESIS TYMS, BLVRB, DHPS DRD1 1322/4885DRD2 1069/4885DRD5 1340/4885
US-20100056789-A1 Substituted Berbines and Processes for their Synthesis TYMS, BLVRB, DHPS DRD1 1322/4885DRD2 1069/4885DRD5 1340/4885

“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.