SCHEMBL21743290

SCHEMBL21743290

CC#CCN1CCCC[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.39
CXCR4 P61073 6/20 0.37
HRH3 Q9Y5N1 6/20 0.35

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
SCHEMBL21667807 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL21667806 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL21941259 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL21941319 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL21941321 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL22509522 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ECXCR4
SCHEMBL24428771 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL25609756 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL21667838 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ECXCR4HRH3
SCHEMBL25609759 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ECXCR4HRH3

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-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
EP-4105203-A1 SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2022-12-21 EP disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 US 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-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ALDH1A1 430/4885KDM4E 502/4885CXCR4 4183/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 ALDH1A1 430/4885KDM4E 502/4885CXCR4 4183/4885

“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.