SCHEMBL21941875

SCHEMBL21941875

CC(C)(C)C(=O)NCCN1CCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.56
DRD2 P14416 9/20 0.56
CACNA1H O95180 2/20 0.52
HTR1A P08908 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
NPC1 O15118 1/20 0.47
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12156373 0.96 DRD4 (0.56) DRD4DRD2CACNA1HHTR1AMEN1
SCHEMBL8135888 0.94 DRD4 (0.55) DRD4DRD2CACNA1HHTR1AMEN1
SCHEMBL21017165 0.87 DRD4 (0.58) DRD4DRD2CACNA1HHTR1AKCNH2
SCHEMBL2698834 0.84 LMNA (0.62) DRD4DRD2CACNA1HCA12CA1
SCHEMBL8404323 0.84 MEN1 (0.55) DRD4DRD2CACNA1HHTR1AMEN1
SCHEMBL15248910 0.84 DRD4 (0.57) DRD4DRD2CACNA1HALDH1A1LMNA
SCHEMBL19658766 0.82 DRD4 (0.51) DRD4DRD2CACNA1HHTR1AKCNH2
SCHEMBL13874787 0.82 DRD4 (0.54) DRD4DRD2CACNA1HHTR1AKCNH2
SCHEMBL21244056 0.81 CA12 (0.50) DRD4DRD2MEN1KMT2ACA12
SCHEMBL10721796 0.81 DRD4 (0.65) DRD4DRD2CACNA1HALDH1A1LMNA

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 DRD4 4862/4885DRD2 4815/4885CACNA1H 4834/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 DRD4 4500/4885DRD2 3681/4885CACNA1H 4832/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT DRD4 4604/4885DRD2 4507/4885CACNA1H 4269/4885

“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.