SCHEMBL21743370

SCHEMBL21743370

CC(C)N1CCC(CC(C)(C)N2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23677065 0.85 HRH3 (0.37) HRH3CYP2D6KCNH2
SCHEMBL22955339 0.83 NCF1 (0.41) HRH3L3MBTL1POLBALDH1A1GAA
SCHEMBL18745447 0.81 POLB (0.35) HRH3L3MBTL1POLBALDH1A1GAA
SCHEMBL23102131 0.79 HRH3 (0.34) HRH3
SCHEMBL19050582 0.77 POLB (0.33) L3MBTL1POLBALDH1A1GAAPKM
SCHEMBL20375137 0.77 POLB (0.33) L3MBTL1POLBALDH1A1GAAPKM
SCHEMBL18552498 0.77 HRH3 (0.35) HRH3
SCHEMBL20623766 0.77 HRH3 (0.42) HRH3CYP2D6KCNH2
SCHEMBL20089204 0.75 POLB (0.32) POLBALDH1A1GAACYP2D6
SCHEMBL22273429 0.75 HRH3 (0.33) HRH3

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
US-10934305-B2 SHMT inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-03-02 US disclosed
US-20200239488-A1 SHMT Inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY 2020-07-30 US 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 (4 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-10934305-B2 SHMT inhibitors SHMT1, SHMT2, BHMT HRH3 2529/4885L3MBTL1 669/4885POLB 984/4885
US-20200239488-A1 SHMT Inhibitors SHMT1, SHMT2, BHMT HRH3 3256/4885L3MBTL1 514/4885POLB 981/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 HRH3 2154/4885L3MBTL1 1359/4885POLB 893/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 HRH3 2154/4885L3MBTL1 1359/4885POLB 893/4885

“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.