SCHEMBL21739433

SCHEMBL21739433

CC(C)N1CC2(CNC(=O)CO2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.33
▸ TOP2B Q02880 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3538061 0.83 LRRK2 (0.36) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL10241500 0.80 LRRK2 (0.32) SMN1; SMN2
SCHEMBL3422752 0.79 PIK3CD (0.35) TOP2ATOP2B
SCHEMBL3477443 0.76 — —
SCHEMBL1246058 0.75 NPSR1 (0.44) ALDH1A1TDP1
SCHEMBL24246661 0.73 — —
SCHEMBL3535456 0.71 GAA (0.32) SMN1; SMN2
SCHEMBL10063346 0.70 NEK2 (0.40) —
SCHEMBL12758822 0.70 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL22449836 0.70 SLC6A2 (0.33) SMN1; SMN2

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 5 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-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
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 (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 TOP2A 568/4885TOP2B 516/4885ALDH1A1 3592/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 TOP2A 248/4885TOP2B 420/4885ALDH1A1 4808/4885

“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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