SCHEMBL24711532

SCHEMBL24711532

CCN1CCN2C(=O)CC[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GAA P10253 1/20 0.33
DRD3 P35462 2/20 0.32
MCHR1 Q99705 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL17722618 1.00 PDCD1LG2 (0.41) PDCD1LG2CD274EPHX2DRD2AKR1C3
SCHEMBL21739463 1.00 PDCD1LG2 (0.41) PDCD1LG2CD274EPHX2DRD2AKR1C3
SCHEMBL21739329 0.90 TDP1 (0.38) PDCD1LG2CD274DRD2KDM5A
SCHEMBL22052769 0.90 TDP1 (0.38) PDCD1LG2CD274DRD2KDM5A
SCHEMBL21739497 0.90 TDP1 (0.38) PDCD1LG2CD274DRD2KDM5A
SCHEMBL9819607 0.81 NLRP3 (0.41) PDCD1LG2CD274KDM5A
SCHEMBL18032523 0.81 LTA4H (0.40) KDM5A
SCHEMBL17718802 0.81 PDCD1LG2 (0.39) PDCD1LG2CD274EPHX2DRD2DRD3
SCHEMBL25664016 0.81 PIK3CD (0.44) PDCD1LG2CD274EPHX2DRD2KDM5A
SCHEMBL25666931 0.81 PDCD1LG2 (0.38) PDCD1LG2CD274EPHX2DRD2MCHR1

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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 PDCD1LG2 2402/4885CD274 3276/4885EPHX2 4172/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 PDCD1LG2 866/4885CD274 2620/4885EPHX2 2481/4885

“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.