SCHEMBL20340485

SCHEMBL20340485

C=C(CC(C)C)NC1CCC(NC(=O)CC(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EPHX1 P07099 1/20 0.38
SMYD3 Q9H7B4 2/20 0.36
KDM5A P29375 1/20 0.36
DRD2 P14416 4/20 0.36
HTR2A P28223 4/20 0.36
DRD3 P35462 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20340487 0.89 RAB9A (0.36) RAB9ACYP3A4HPGDCYP2C19JAK2
SCHEMBL5067337 0.89 RAB9A (0.49) RAB9ACYP3A4HPGDCYP2C19JAK2
SCHEMBL18199497 0.89 RAB9A (0.49) RAB9ACYP3A4HPGDCYP2C19JAK2
SCHEMBL15014614 0.81 EPHX1 (0.48) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL15014593 0.81 EPHX1 (0.48) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL23197739 0.81 HTT (0.43) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL11890375 0.81 RAB9A (0.58) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL15119348 0.81 HTT (0.47) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL11890370 0.81 RAB9A (0.54) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL12384535 0.80 RAB9A (0.43) RAB9ACYP3A4HPGDCYP2C19JAK2

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-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 US disclosed
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 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 (3 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-10010589-B2 TYMP, MTAP, TUBB6 RAB9A 2342/4885CYP3A4 4850/4885HPGD 1325/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 RAB9A 897/4885CYP3A4 4869/4885HPGD 4004/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 RAB9A 897/4885CYP3A4 4869/4885HPGD 4004/4885

“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.