SCHEMBL21246773

SCHEMBL21246773

Nc1cc(N2CCOCC2)ncc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.52
MAPT P10636 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
PIK3CA P42336 2/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAP3K12 Q12852 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
ADK P55263 1/20 0.43

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
SCHEMBL21262502 0.94 CNR2 (0.50) CNR2MAPTCYP1A2CYP2D6PIK3CA
SCHEMBL21262504 0.85 CNR2 (0.40) CNR2MAPTCYP1A2CYP2D6PIK3CA
SCHEMBL29745217 0.84 ALDH1A1 (0.48) CNR2MAPTCYP1A2CYP2D6PIK3CA
SCHEMBL15543262 0.84 ALDH1A1 (0.48) CNR2MAPTCYP1A2CYP2D6PIK3CA
SCHEMBL21262026 0.84 CNR2 (0.44) CNR2SMN1; SMN2ALDH1A1CRHBPCRHR2
SCHEMBL22556281 0.84 MAP3K12 (0.40) CNR2MAPTCYP1A2CYP2D6PIK3CA
SCHEMBL21262245 0.81 MAP4K4 (0.50) CNR2MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL246534 0.80 ALDH1A1 (0.44) CNR2MAPTCYP1A2CYP2D6PIK3CA
SCHEMBL21262025 0.80 HTR3A (0.51) MAPTCYP1A2CYP2C19KDM4E
SCHEMBL14910307 0.80 KDM4E (0.47) CNR2MAPTCYP1A2CYP2D6PIK3CA

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 8 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-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
EP-3749672-B1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2022-07-27 EP disclosed
EP-3749672-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-12-16 EP 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
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
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 CNR2 4769/4885MAPT 2333/4885CYP1A2 3700/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 CNR2 4806/4885MAPT 2192/4885CYP1A2 4127/4885

“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.