SCHEMBL21765664

SCHEMBL21765664

O=C(CBr)O[C@@H]1CCC[C@H](OC(=O)CBr)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.41
NAAA Q02083 2/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.37
CYP19A1 P11511 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 2/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32

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
SCHEMBL21765917 0.91 ALDH1A1 (0.41) SERPINE1NAAACYP2C19HTTCYP19A1
SCHEMBL21765668 0.91 ALDH1A1 (0.41) SERPINE1NAAACYP2C19HTTCYP19A1
SCHEMBL23194328 0.87 CYP19A1 (0.43) SERPINE1NAAACYP2C19HTTCYP19A1
SCHEMBL2431445 0.86 NAAA (0.50) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL14944752 0.86 ALDH1A1 (0.39) NAAACYP2C19ADORA1ALDH1A1TRPA1
SCHEMBL25946775 0.85 ANPEP (0.36) SERPINE1NAAACYP2C19HTTCYP19A1
SCHEMBL4954811 0.84 CYP2C19 (0.53) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL633774 0.84 CYP2C19 (0.53) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL21765678 0.81 ALDH1A1 (0.44) SERPINE1NAAACYP2C19HTTCYP19A1
SCHEMBL21883836 0.81 ALDH1A1 (0.44) SERPINE1NAAACYP2C19HTTCYP19A1

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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 US disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 SERPINE1 591/4885NAAA 2005/4885CYP2C19 4859/4885

“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.