SCHEMBL25837813

SCHEMBL25837813

CCc1cn(-c2ncc(CN(C)C(=O)OC(C)(C)C)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.37
SLC6A4 P31645 7/20 0.37
CPB2 Q96IY4 9/20 0.36
HTR2A P28223 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
GLS O94925 1/20 0.32
AAK1 Q2M2I8 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
SCHEMBL22901061 0.91 HTR2C (0.37) HTR2CSLC6A4CPB2HTR2ACACNA1G
SCHEMBL22900754 0.86 HTR2C (0.35) HTR2CSLC6A4CPB2HTR2ACACNA1G
SCHEMBL21366428 0.83 CPB2 (0.35) HTR2CSLC6A4CPB2HTR2ACACNA1G
SCHEMBL25837814 0.78 L3MBTL1 (0.40)
SCHEMBL23251854 0.73 HTR2C (0.42) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL21528021 0.72 TAAR1 (0.43) HTR2CSLC6A4
SCHEMBL21528145 0.71 POLB (0.45) HTR2CSLC6A4
SCHEMBL21528132 0.70 OGA (0.46)
SCHEMBL21366425 0.68 PDE3B (0.32)
SCHEMBL21672236 0.68 CACNA1G (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C

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-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 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-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS HTR2C 4462/4885SLC6A4 3639/4885CPB2 3887/4885

“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.