SCHEMBL30968618

SCHEMBL30968618

[2H]C([2H])(NC(=O)[C@@H](C)N)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.48
PRMT6 Q96LA8 4/20 0.48
SLC1A2 P43004 1/20 0.45
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RIPK1 Q13546 1/20 0.41
CTRB1 P17538 4/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL30968590 1.00 CARM1 (0.48) CARM1PRMT6SLC1A2LMNAALDH1A1
SCHEMBL30968593 1.00 CARM1 (0.48) CARM1PRMT6SLC1A2LMNAALDH1A1
SCHEMBL25259336 0.84 SLC1A2 (0.60) CARM1PRMT6SLC1A2ALDH1A1RIPK1
SCHEMBL25242066 0.84 SLC1A2 (0.60) CARM1PRMT6SLC1A2ALDH1A1RIPK1
SCHEMBL25209028 0.84 SLC1A2 (0.60) CARM1PRMT6SLC1A2ALDH1A1RIPK1
SCHEMBL30968624 0.78 CTRB1 (0.51) CARM1PRMT6CTRB1HDAC1HDAC2
SCHEMBL30968655 0.78 CTRB1 (0.51) CARM1PRMT6CTRB1HDAC1HDAC2
SCHEMBL30968596 0.78 CTRB1 (0.51) CARM1PRMT6CTRB1HDAC1HDAC2
SCHEMBL31196650 0.76 SLC1A2 (0.65) SLC1A2LMNAALDH1A1
SCHEMBL31196680 0.76 ALDH1A1 (0.41) SLC1A2LMNAALDH1A1

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-20250042848-A1 DEUTERATED FUNCTIONALIZED DERIVATIVES OF alpha-ALANINE, IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2025-02-06 US disclosed
EP-4436954-A1 DEUTERATED FUNCTIONALIZED DERIVATIVES OF ?-ALANINE, IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2024-10-02 EP 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 882/4885SLC1A2 36/4885

“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.