SCHEMBL23914108

SCHEMBL23914108

O=C1O[C@H](c2cccc3ccccc23)[C@H](c2ccc3ccccc3c2)C1CN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
SLC6A4 P31645 3/20 0.36
ABCB1 P08183 4/20 0.35
DRD2 P14416 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
XDH P47989 1/20 0.34
UTS2R Q9UKP6 2/20 0.33
PRKDC P78527 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
SCHEMBL23913811 0.89 ALDH1A1 (0.40) HRH3SLC6A4ABCB1DRD2KDM4E
SCHEMBL23914107 0.88 HRH3 (0.40) HRH3SLC6A4ABCB1DRD2CRHBP
SCHEMBL23914453 0.88 HRH3 (0.42) HRH3SLC6A4DRD2KDM4EALDH1A1
SCHEMBL23913990 0.86 HRH3 (0.41) HRH3SLC6A4DRD2KDM4EALDH1A1
SCHEMBL23913812 0.79 SLC6A4 (0.48) HRH3SLC6A4KDM4EALDH1A1LMNA
SCHEMBL23914326 0.73 MEN1 (0.45) ABCB1ALDH1A1LMNA
SCHEMBL23914273 0.70 CHRNA7 (0.42) HRH3SLC6A4DRD2KDM4E
SCHEMBL23914302 0.66 ALDH1A1 (0.40) SLC6A4KDM4EALDH1A1LMNAMAPK1
SCHEMBL23914303 0.66 ALDH1A1 (0.40) SLC6A4KDM4EALDH1A1LMNAMAPK1
SCHEMBL3090416 0.66 ABCB1 (0.48) HRH3SLC6A4ABCB1DRD2KDM4E

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 4496/4885SLC6A4 4444/4885ABCB1 1555/4885

“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.