SCHEMBL16625824

SCHEMBL16625824

OCc1ccc2c(c1)CCN[C@H]2Cc1cc(O)c(CO)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
MEN1 O00255 1/20 0.47
ABL1 P00519 1/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
RIN1 Q13671 1/20 0.47
KDM1A O60341 1/20 0.47
TBXA2R P21731 4/20 0.46
ADRB2 P07550 3/20 0.44
ADRB1 P08588 1/20 0.42

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
SCHEMBL11921687 0.83 DRD2 (0.61) DRD2DRD4MEN1ABL1ALPL
SCHEMBL16625833 0.83 DRD2 (0.61) DRD2DRD4MEN1ABL1ALPL
SCHEMBL13589712 0.81 DRD2 (0.52) DRD2DRD4MEN1ABL1ALPL
SCHEMBL16625835 0.75 DRD2 (0.60) DRD2DRD4MEN1ABL1ALPL
SCHEMBL16627054 0.73 KDM4E (0.54) MEN1KMT2ATBXA2RADRB2ADRB1
SCHEMBL16625815 0.71 TBXA2R (0.78) DRD2DRD4MEN1ABL1ALPL
SCHEMBL11921686 0.70 GAA (0.47) DRD2DRD4MEN1ABL1ALPL
SCHEMBL12744527 0.68 GAA (0.44) DRD2DRD4MEN1ABL1ALPL
SCHEMBL2742616 0.67 BCHE (0.50) DRD2DRD4MEN1KMT2AKDM1A
SCHEMBL10348610 0.67 DRD2 (0.78) DRD2DRD4MEN1ABL1ALPL

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.