SCHEMBL21739121

SCHEMBL21739121

CC[C@H]1CCN2C(=O)CC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GFER P55789 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL22052763 1.00 TDP1 (0.36) TDP1AKR1C3AKR1C2GFERALDH1A1
SCHEMBL24667087 1.00 TDP1 (0.36) TDP1AKR1C3AKR1C2GFERALDH1A1
SCHEMBL22052762 1.00 TDP1 (0.36) TDP1AKR1C3AKR1C2GFERALDH1A1
SCHEMBL25033728 0.90 TDP1 (0.43) TDP1GFERALDH1A1
SCHEMBL21740354 0.86 CHRM2 (0.35) TDP1AKR1C3AKR1C2ALDH1A1
SCHEMBL12283890 0.78 ALDH1A1 (0.39) TDP1AKR1C3AKR1C2ALDH1A1
SCHEMBL2319362 0.78 ALDH1A1 (0.39) TDP1AKR1C3AKR1C2ALDH1A1
SCHEMBL12283793 0.78 AKR1C3 (0.43) AKR1C3AKR1C2ALDH1A1
SCHEMBL2318844 0.78 AKR1C3 (0.43) AKR1C3AKR1C2ALDH1A1
SCHEMBL19277298 0.77

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 4 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
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 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 (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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 TDP1 1316/4885AKR1C3 3792/4885AKR1C2 3655/4885

“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.