SCHEMBL16625795

SCHEMBL16625795

CCC(=O)N1CCc2cc(CO)ccc2C1Cc1ccc(CO)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
MTNR1B P49286 2/20 0.42
DRD1 P21728 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL16625803 0.89 MTNR1B (0.47) DRD2DRD4MEN1KMT2AMTNR1B
SCHEMBL16625812 0.86 MTNR1B (0.46) MEN1KMT2AGAAHTTL3MBTL1
SCHEMBL16625800 0.84 GRIN2C (0.46) DRD2DRD4LMNAMTNR1BMAPT
SCHEMBL12744530 0.83 DRD2 (0.64) DRD2DRD4LMNADRD1MAPK1
SCHEMBL16625811 0.80 DRD2 (0.45) DRD2DRD4MTNR1BDRD1KCNH2
SCHEMBL16627003 0.77 GAA (0.57) DRD2MEN1KMT2AGAAHTT
SCHEMBL16625794 0.76 PDE4D (0.44) MEN1KMT2ALMNAMTNR1BTSHR
SCHEMBL16625797 0.71 GRIN2C (0.50) LMNAMTNR1BMAPTNPSR1TP53
SCHEMBL8741257 0.71 PARP1 (0.61) DRD2DRD4MEN1KMT2AGAA
SCHEMBL16627022 0.69 GAA (0.56) MEN1KMT2AGAAHTTL3MBTL1

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 2290/4885MEN1 945/4885

“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.