SCHEMBL16627561

SCHEMBL16627561

COc1ccc2c(c1)CCN1[C@@H](c3ccccc3Br)c3c(O)c(OC)cc(Br)c3C[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.47
DRD1 P21728 8/20 0.44
DRD2 P14416 3/20 0.44
DRD5 P21918 3/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL16627016 0.92 ADRA1A (0.45) ADRA1ADRD1DRD2DRD5DRD4
SCHEMBL16627018 0.91 ADRA1A (0.47) ADRA1ADRD1DRD2DRD5DRD4
SCHEMBL16625841 0.89 DRD1 (0.40) ADRA1ADRD1DRD2DRD5DRD3
SCHEMBL16627558 0.83 KCNH2 (0.53) ADRA1ADRD1DRD2DRD5DRD4
SCHEMBL16625845 0.81 DRD1 (0.36) ADRA1ADRD1DRD2DRD5DRD3
SCHEMBL16625842 0.80 KCNH2 (0.39) DRD1DRD2DRD3USP2ALDH1A1
SCHEMBL16627053 0.76 DRD1 (0.49) ADRA1ADRD1DRD2DRD5DRD4
SCHEMBL16625844 0.74 KCNH2 (0.52) ALDH1A1KDM4EKMT2A
SCHEMBL16627026 0.71 DRD1 (0.53) ADRA1ADRD1DRD2DRD5DRD4
SCHEMBL16627024 0.71 DRD1 (0.53) ADRA1ADRD1DRD2DRD5DRD4

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 ADRA1A 4451/4885DRD1 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.