SCHEMBL16625803

SCHEMBL16625803

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
PDE4D Q08499 3/20 0.44
DRD1 P21728 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL16625795 0.89 DRD2 (0.45) MTNR1BDRD2DRD4DRD1MEN1
SCHEMBL16625794 0.86 PDE4D (0.44) MTNR1BPDE4DMEN1KMT2ACYP3A4
SCHEMBL16625800 0.85 GRIN2C (0.46) MTNR1BDRD2DRD4
SCHEMBL12744530 0.85 DRD2 (0.64) DRD2DRD4DRD1CYP2D6KCNH2
SCHEMBL16625811 0.81 DRD2 (0.45) MTNR1BDRD2DRD4PDE4DDRD1
SCHEMBL328651 0.79 DRD2 (0.69) MTNR1BDRD2DRD4PDE4DDRD1
SCHEMBL16627051 0.76 MTNR1B (0.61) MTNR1BDRD2DRD1MEN1KMT2A
SCHEMBL16625812 0.76 MTNR1B (0.46) MTNR1BMEN1KMT2ACYP3A4CYP2D6
SCHEMBL9416632 0.74 DRD2 (0.72) MTNR1BDRD2PDE4DDRD1CYP3A4
SCHEMBL16625797 0.73 GRIN2C (0.50) MTNR1B

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 MTNR1B 3582/4885DRD2 2522/4885DRD4 2290/4885

“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.