SCHEMBL21743170

SCHEMBL21743170

CC(C)n1cc(CN)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
ACHE P22303 4/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PDE8B O95263 1/20 0.39
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MAPT P10636 2/20 0.34
BPTF Q12830 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 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
SCHEMBL21941265 0.82 ACHE (0.47) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL1161159 0.81 ACHE (0.42) ACHEPRMT5WDR77PDE8BPIK3CD
SCHEMBL21941341 0.81 GABRA1 (0.35) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL12026627 0.79 ACHE (0.44) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL17825123 0.79 ACHE (0.41) ACHEPRMT5WDR77PDE8BPIK3CD
SCHEMBL31421119 0.79 GABRA1 (0.50) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL5212545 0.79 ACHE (0.41) ACHEPRMT5WDR77PDE8BPIK3CD
SCHEMBL21303995 0.79 ACHE (0.41) ACHEPRMT5WDR77PDE8BPIK3CD
SCHEMBL1106841 0.79 ACHE (0.41) ACHEPRMT5WDR77PDE8BPIK3CD
SCHEMBL7992626 0.79 ACHE (0.41) ACHEPRMT5WDR77PDE8BPIK3CD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 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 (5 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 GABRA1 4309/4885GABRR1 3612/4885GABRA3 4193/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 GABRA1 3791/4885GABRR1 2891/4885GABRA3 3645/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 GABRA1 4309/4885GABRR1 3612/4885GABRA3 4193/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT GABRA1 2835/4885GABRR1 2097/4885GABRA3 2240/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 GABRA1 4309/4885GABRR1 3612/4885GABRA3 4193/4885

“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.