SCHEMBL16627022

SCHEMBL16627022

CCC(=O)Oc1cc(CC2c3ccc(OC)cc3CCN2C(=O)CC)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MTNR1B P49286 2/20 0.52
TP53 P04637 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL16627003 0.89 GAA (0.57) GAAHTTL3MBTL1CYP3A4CYP2D6
SCHEMBL16627050 0.83 MTNR1B (0.60) CYP3A4CYP2D6CYP2C19MTNR1BMEN1
SCHEMBL16625812 0.80 MTNR1B (0.46) GAAHTTL3MBTL1CYP3A4CYP2D6
SCHEMBL16627006 0.80 GRIN2C (0.60) CYP3A4CYP2D6CYP2C19MTNR1BTP53
SCHEMBL16627051 0.79 MTNR1B (0.61) CYP3A4CYP2D6CYP2C19MTNR1BMEN1
SCHEMBL12826271 0.76 PDE4D (0.52) CYP3A4CYP2D6CYP2C19MTNR1BTSHR
SCHEMBL16627023 0.75 GRIN2C (0.59) CYP3A4CYP2D6CYP2C19MTNR1BTP53
SCHEMBL12826406 0.74 PDE4D (0.50) CYP3A4CYP2D6CYP2C19MTNR1BMAPK1
SCHEMBL9637922 0.72 LMNA (0.61) CYP3A4CYP2D6CYP2C19MTNR1BMEN1
SCHEMBL13064945 0.72 LMNA (0.68) CYP3A4CYP2D6CYP2C19MTNR1BMEN1

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
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 US disclosed
WO-2015051106-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS MALLINCKRODT LLC (US) 2015-04-09 WO 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 GAA 2101/4885HTT 2744/4885L3MBTL1 543/4885

“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.