SCHEMBL23788919

SCHEMBL23788919

CC(C)C(=O)NCCC(C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ANPEP P15144 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.36
ECE1 P42892 3/20 0.36
ALDH1A1 P00352 2/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL11129 0.81 ANPEP (0.55) KMT2ACYP2C19CYP2D6CYP2C9CYP1A2
SCHEMBL12131751 0.80 USP2 (0.55) KMT2ACYP2C19CYP2D6CYP2C9CYP1A2
SCHEMBL20687626 0.79 ALDH1A1 (0.50) KMT2ACYP2C19CYP2D6CYP2C9CHRNB2
SCHEMBL23733367 0.79 KDM4E (0.48) CHRNB2CHRNB4CHRNA4MAPK1ANPEP
SCHEMBL16297552 0.79 KDM4E (0.48) CHRNB2CHRNB4CHRNA4MAPK1ANPEP
SCHEMBL21214819 0.77 KMT2A (0.42) KMT2ACYP2C19CYP2D6CYP2C9CHRNB2
SCHEMBL21214691 0.77 KMT2A (0.42) KMT2ACYP2C19CYP2D6CYP2C9CHRNB2
SCHEMBL15730425 0.76 CYP2C19 (0.37) KMT2ACYP2C19CYP2D6CYP2C9CYP1A2
SCHEMBL20810611 0.76 USP2 (0.46) KMT2ACYP2C19CYP2D6CYP2C9CHRNB2
SCHEMBL22548464 0.76 USP2 (0.46) KMT2ACYP2C19CYP2D6CYP2C9CHRNB2

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-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2021-09-09 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 (2 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-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV KMT2A 3926/4885CYP2C19 4556/4885CYP2D6 1294/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV KMT2A 4013/4885CYP2C19 4628/4885CYP2D6 1635/4885

“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.