SCHEMBL31368071

SCHEMBL31368071

C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 1/20 0.41
EPHX2 P34913 1/20 0.40
CTSK P43235 3/20 0.39
CTSS P25774 1/20 0.39
SLC6A9 P48067 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KCNA3 P22001 1/20 0.38
KDM4D Q6B0I6 2/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL31368119 1.00 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL2848577 0.84 KMT2A (0.42) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL2848581 0.84 KMT2A (0.42) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL2852593 0.84 KMT2A (0.42) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL5456237 0.80 SLC6A9 (0.40) KMT2ASLC6A9MEN1GAA
SCHEMBL5456238 0.80 SLC6A9 (0.40) KMT2ASLC6A9MEN1GAA
Hydrochloric Acid SCHEMBL5463006 0.79 SLC6A9 (0.40) KMT2ASLC6A9MEN1GAA
Hydrochloric Acid SCHEMBL5463007 0.79 SLC6A9 (0.40) KMT2ASLC6A9MEN1GAA
SCHEMBL2793927 0.78 KMT2A (0.49) KDM1AMAOBKMT2AL3MBTL1CCR5
SCHEMBL10752201 0.76 KDM1A (0.44) KDM1AMAOBKMT2AL3MBTL1CCR5

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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO 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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 KDM1A 3108/4885MAOB 2548/4885KMT2A 3275/4885

“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.