SCHEMBL16625811

SCHEMBL16625811

O=CN1CCc2cc(CO)ccc2C1Cc1ccc(CO)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
PDE4D Q08499 13/20 0.41
DRD1 P21728 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
KCNH2 Q12809 1/20 0.37
MTNR1B P49286 2/20 0.37
MTNR1A P48039 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
SCHEMBL12744530 0.84 DRD2 (0.64) DRD2DRD4DRD1KCNH2
SCHEMBL12744529 0.83 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CMTNR1B
SCHEMBL16625803 0.81 MTNR1B (0.47) DRD2DRD4PDE4DDRD1KCNH2
SCHEMBL12744524 0.81 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CMTNR1B
SCHEMBL16625795 0.80 DRD2 (0.45) DRD2DRD4DRD1KCNH2MTNR1B
SCHEMBL16625800 0.78 GRIN2C (0.46) DRD2DRD4MTNR1B
SCHEMBL11936777 0.74 DRD2 (0.57) DRD2PDE4DDRD1KCNH2MTNR1B
SCHEMBL21328362 0.71 PDE4D (0.53) DRD2DRD4PDE4DDRD1KCNH2
SCHEMBL8741257 0.71 PARP1 (0.61) DRD2DRD4DRD1
SCHEMBL16625833 0.71 DRD2 (0.61) DRD2DRD4

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 DRD2 2522/4885DRD4 2290/4885PDE4D 3713/4885

“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.