SCHEMBL16853213

SCHEMBL16853213

CCC(=O)NC1CC2CCC1CC2NC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX1 P07099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 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
SCHEMBL8042544 0.88 EPHX2 (0.54) SIGMAR1ALDH1A1EPHX2EPHX1TAS1R3
SCHEMBL26253133 0.86 KMT2A (0.33) TRPV1CNR1CNR2SIGMAR1ALDH1A1
SCHEMBL20215892 0.85 ALDH1A1 (0.44) TRPV1CNR1CNR2SIGMAR1ALDH1A1
SCHEMBL13918751 0.83 TRPV1 (0.44) TRPV1CNR1CNR2MTNR1AMTNR1B
SCHEMBL13918752 0.83 TRPV1 (0.44) TRPV1CNR1CNR2MTNR1AMTNR1B
SCHEMBL23583172 0.79
SCHEMBL20807544 0.79
SCHEMBL21285287 0.79
SCHEMBL5021846 0.79 USP2 (0.44) ALDH1A1MTNR1AMTNR1BEPHX1L3MBTL1
SCHEMBL18794298 0.79

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
EP-4212180-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF The Scripps Research Institute (US) 2023-07-19 EP disclosed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 TRPV1 4470/4885CNR1 4666/4885CNR2 4636/4885

“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.