SCHEMBL23518445

SCHEMBL23518445

CN(C(=O)CC(C)(C)C)N(C)C(=O)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.31
CCR5 P51681 1/20 0.30

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
SCHEMBL680882 0.82 ALDH1A1 (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL1515322 0.80 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL5174067 0.80 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL15247980 0.78 KDM4E (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL24967823 0.78 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8962253 0.78 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
Benzene SCHEMBL1002002 0.76 CCR5 (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL13521884 0.76 LMNA (0.32)
SCHEMBL14394194 0.76
SCHEMBL26935277 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 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 (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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 HMGCR 4397/4885CHRM1 4873/4885TBXA2R 4357/4885

“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.