SCHEMBL21262096

SCHEMBL21262096

C[C@@H]1CN(c2cc(N)c(Cl)cn2)[C@H](C)CO1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 2/20 0.35
▸ FFAR2 O15552 5/20 0.34
▸ HSD11B1 P28845 3/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ CHIA Q9BZP6 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL21262100 0.78 ATR (0.47) —
SCHEMBL21262098 0.78 ATR (0.47) —
SCHEMBL22556125 0.78 ATR (0.47) —
SCHEMBL15651256 0.76 FFAR2 (0.38) NR3C2FFAR2DGAT2DRD2DRD3
SCHEMBL12235941 0.76 FFAR2 (0.38) NR3C2FFAR2DGAT2DRD2DRD3
SCHEMBL22556106 0.76 MAP3K12 (0.40) NR3C2FFAR2MAP3K12
SCHEMBL21262097 0.76 MAP3K12 (0.40) NR3C2FFAR2MAP3K12
SCHEMBL21262103 0.74 KMT2A (0.48) MAP3K12
SCHEMBL21262099 0.74 KMT2A (0.48) MAP3K12
SCHEMBL21262649 0.74 MTOR (0.39) —

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 6 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
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

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 NR3C2 1423/4885FFAR2 3730/4885HSD11B1 691/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 NR3C2 1430/4885FFAR2 4139/4885HSD11B1 857/4885

“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.

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