SCHEMBL23914453

SCHEMBL23914453

O=C1O[C@H](c2ccc3ccccc3c2)[C@H](c2ccc3ccccc3c2)C1CN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 1/20 0.40
UTS2R Q9UKP6 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL23913990 0.95 HRH3 (0.41) HRH3DRD2SLC6A4KDM4EUTS2R
SCHEMBL23914108 0.88 HRH3 (0.40) HRH3DRD2SLC6A4KDM4EUTS2R
SCHEMBL23914326 0.82 MEN1 (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL23914273 0.76 CHRNA7 (0.42) HRH3DRD2SLC6A4KDM4EMETAP1
SCHEMBL23913811 0.75 ALDH1A1 (0.40) HRH3DRD2SLC6A4KDM4EUTS2R
SCHEMBL23914076 0.74 CHRNA7 (0.47) HRH3MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL23914107 0.73 HRH3 (0.40) HRH3DRD2SLC6A4ADRA2AADRA2B
SCHEMBL5650876 0.71 KDM4E (0.45) HRH3DRD2SLC6A4KDM4EUTS2R
SCHEMBL23914325 0.69 MEN1 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL23913804 0.68 SLC6A4 (0.51) DRD2SLC6A4

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 HRH3 4496/4885DRD2 3261/4885SLC6A4 4444/4885

“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.