SCHEMBL23913782

SCHEMBL23913782

CN(C)CC1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CYP19A1 P11511 1/20 0.36
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
EIF4A1 P60842 1/20 0.33

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
SCHEMBL23914327 0.91 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL23914259 0.88 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KMT2AKDM1A
SCHEMBL23913779 0.88 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KMT2AKDM1A
SCHEMBL23914311 0.88 CTRB1 (0.35) SLC6A4SLC6A2SLC6A3KMT2ARAB9A
SCHEMBL23914312 0.88 CTRB1 (0.35) SLC6A4SLC6A2SLC6A3KMT2ARAB9A
SCHEMBL23914260 0.84 HDAC4 (0.39) KMT2AMAOB
SCHEMBL23914069 0.81 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3CYP19A1KMT2A
SCHEMBL23914420 0.81 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3CYP19A1KMT2A
SCHEMBL23914401 0.79 ALDH1A1 (0.35) SLC6A4SLC6A2SLC6A3KMT2AMAOB
SCHEMBL23914440 0.76 MAPT (0.42) SLC6A4SLC6A2SLC6A3KMT2AMAOA

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.