SCHEMBL30968601

SCHEMBL30968601

[2H]c1cccc(CNC(=O)[C@@H](C)N)c1[2H]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 7/20 0.49
PRMT6 Q96LA8 7/20 0.49
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CTRB1 P17538 3/20 0.43
MME P08473 1/20 0.43
SLC1A2 P43004 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL30968592 1.00 CARM1 (0.49) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL30968662 1.00 CARM1 (0.49) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL30968598 0.84 CARM1 (0.45) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL30968614 0.84 CARM1 (0.45) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL30968599 0.84 CARM1 (0.45) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL2236118 0.84 KMT2A (0.63) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL1790978 0.84 KMT2A (0.63) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL6461987 0.84 KMT2A (0.63) CARM1PRMT6KMT2AHDAC1HDAC2
Hydrochloric Acid SCHEMBL5966886 0.82 CARM1 (0.62) CARM1PRMT6KMT2AHDAC1HDAC2
SCHEMBL15602694 0.79 CARM1 (0.57) CARM1PRMT6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042848-A1 DEUTERATED FUNCTIONALIZED DERIVATIVES OF alpha-ALANINE, IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2025-02-06 US disclosed
CN-118302410-A Deuterated functionalized derivatives of alpha-alanine, in particular for the treatment of neurological diseases 雅盖隆大学 2024-07-05 CN 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 (1 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-20250042848-A1 DEUTERATED FUNCTIONALIZED DERIVATIVES OF alpha-ALANINE, IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISEASES AADAT, AAAS, ABAT CARM1 2988/4885PRMT6 882/4885KMT2A 2624/4885

“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.