SCHEMBL23914336

SCHEMBL23914336

C[C@@]1(c2ccccc2)CC(CN2CCCCC2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.43
CHRNA7 P36544 7/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSD11B1 P28845 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
ABCB1 P08183 2/20 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
SCHEMBL16575261 0.79 MAOA (0.37) CHRNA7
SCHEMBL23913951 0.77 L3MBTL1 (0.41) METAP1CHRNA7LMNA
SCHEMBL13430198 0.77 METAP1 (0.39) METAP1CHRNA7CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL3235006 0.76 METAP1 (0.40) METAP1CHRNA7CHRNA1CHRNGCHRNB1
SCHEMBL14305011 0.70 HSD11B1 (0.43) HSD11B1
SCHEMBL23914284 0.70 METAP1 (0.37) METAP1CHRNA7KCNH2LMNA
SCHEMBL13430202 0.68 SIGMAR1 (0.39) CHRNA7HSD11B1TSHR
SCHEMBL13430200 0.68 ACHE (0.42) HSD11B1TSHR
Hydrochloric Acid SCHEMBL3227225 0.67 ACHE (0.41) HSD11B1TSHR
SCHEMBL16575259 0.67 POLB (0.34) METAP1CHRNA7

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 METAP1 890/4885CHRNA7 4821/4885CHRNA1 4838/4885

“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.