SCHEMBL21262008

SCHEMBL21262008

Clc1ccc(N2CC3CC[C@H](C2)N3)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59
CHRNB4 P30926 3/20 0.45
CHRNA3 P32297 3/20 0.45
HTR1A P08908 2/20 0.44
DRD4 P21917 2/20 0.44
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR7 P34969 2/20 0.44
DRD3 P35462 2/20 0.44
PDE10A Q9Y233 1/20 0.44
CNR2 P34972 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2C P28335 1/20 0.41
RET P07949 1/20 0.39

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
SCHEMBL21262167 1.00 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3HTR1A
Hydrochloric Acid SCHEMBL5041501 0.98 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3HTR1A
SCHEMBL3568341 0.94 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3HTR1A
Hydrochloric Acid SCHEMBL3578509 0.92 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3HTR1A
SCHEMBL26938918 0.80 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3PDE10A
SCHEMBL13103511 0.80 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3PDE10A
SCHEMBL20468889 0.80 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3RET
Hydrochloric Acid SCHEMBL20491840 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3RET
Hydrochloric Acid SCHEMBL29882451 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3HTR1A
SCHEMBL22129422 0.77 PDE10A (0.50) HTR1ADRD4HTR2ASLC6A4HTR7

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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 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 (2 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 CHRNB2 4817/4885CHRNA4 4875/4885CHRNB4 4833/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 CHRNB2 4816/4885CHRNA4 4871/4885CHRNB4 4837/4885

“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.