SCHEMBL16627012

SCHEMBL16627012

COc1ccc2c(c1)CCN1[C@H]2Cc2ccc(OC)c(O)c2[C@H]1C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.48
DRD2 P14416 4/20 0.48
FKBP1A P62942 2/20 0.47
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
F3 P13726 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL16625817 0.88 DRD1 (0.44) DRD1DRD2F3KDM4EBCHE
SCHEMBL13430580 0.85 DRD1 (0.55) DRD1DRD2FKBP1ADRD4DRD5
SCHEMBL16627010 0.85 DRD1 (0.55) DRD1DRD2FKBP1ADRD4DRD5
SCHEMBL16626854 0.84 BCHE (0.50) DRD1DRD2DRD4DRD5DRD3
SCHEMBL16627053 0.82 DRD1 (0.49) DRD1DRD2DRD4DRD5DRD3
SCHEMBL16627014 0.81 KCNH2 (0.65) DRD1DRD2DRD4DRD5DRD3
SCHEMBL13430577 0.80 DRD1 (0.57) DRD1DRD2DRD4DRD5DRD3
SCHEMBL16627059 0.75 DRD1 (0.77) DRD1DRD2DRD4DRD5DRD3
SCHEMBL17346460 0.75 DRD1 (0.77) DRD1DRD2DRD4DRD5DRD3
SCHEMBL16627066 0.75 DRD1 (0.77) DRD1DRD2DRD4DRD5DRD3

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 3 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
WO-2015051106-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS MALLINCKRODT LLC (US) 2015-04-09 WO 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 2522/4885FKBP1A 2435/4885

“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.