SCHEMBL31258374

SCHEMBL31258374

c1ccc(C2CCCN(Cc3ccc(-c4c[nH]c5ncccc45)cc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.55
OPRM1 P35372 2/20 0.51
CAMKK2 Q96RR4 2/20 0.48
CAMKK1 Q8N5S9 1/20 0.48
TNIK Q9UKE5 1/20 0.47
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
JAK2 O60674 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
JAK1 P23458 1/20 0.44
CYP2D6 P10635 1/20 0.44
DYRK1A Q13627 3/20 0.44
GSK3B P49841 2/20 0.44
RET P07949 2/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
MAPK13 O15264 1/20 0.44

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
SCHEMBL19823045 0.84 TNIK (0.54) OPRM1CAMKK2TNIKDRD2HTR2A
SCHEMBL19823067 0.76 TNIK (0.68) TNIKKCNH2RETROCK2ABL1
SCHEMBL19823044 0.76 LRRK2 (0.59) OPRM1CAMKK2TNIKDRD2HTR2A
SCHEMBL31358111 0.76 OPRM1 (0.58) OPRM1KCNH2JAK2TYK2JAK3
SCHEMBL19823109 0.76 TNIK (0.53) OPRM1CAMKK2TNIKDRD2HTR2A
SCHEMBL4471272 0.75 CNR2 (0.71) CNR2DRD2HTR2AHTR2CKCNH2
SCHEMBL19823048 0.75 TNIK (0.52) OPRM1CAMKK2TNIKDRD2HTR2A
SCHEMBL19823047 0.75 TNIK (0.49) OPRM1CAMKK2TNIKDRD2HTR2A
SCHEMBL28226193 0.73 CYP1A2 (0.66) CNR2DRD2HTR2AHTR2CKCNH2
SCHEMBL21044844 0.72 CAMKK2 (0.54) CAMKK2TNIKJAK2TYK2JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 CNR2 4171/4885OPRM1 4604/4885CAMKK2 791/4885

“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.