SCHEMBL23914259

SCHEMBL23914259

COc1ccc([C@H]2OC(=O)C(CN(C)C)[C@H]2c2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
SNCA P37840 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL23913779 1.00 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL23914440 0.90 MAPT (0.42) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23913782 0.88 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL23914327 0.87 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL23914420 0.87 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23914069 0.87 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23914089 0.85 MAPT (0.39) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23914063 0.85 MAPT (0.39) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23914401 0.76 ALDH1A1 (0.35) SLC6A4SLC6A2SLC6A3MAOBMEN1
SCHEMBL23914312 0.75 CTRB1 (0.35) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM SLC6A4 4444/4885SLC6A2 4850/4885SLC6A3 4632/4885

“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.