SCHEMBL23914078

SCHEMBL23914078

O=C1OC(C2CCCCC2)C[C@@H]1CN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.39
METAP1 P53582 2/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23914077 1.00 CHRNA7 (0.39) CHRNA7METAP1CHRM5ADRA2CCHRM2
SCHEMBL14534416 0.70 POLB (0.32) POLB
SCHEMBL23914414 0.69 ALDH1A1 (0.51) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL23913784 0.69 CHRNA7 (0.47) CHRNA7METAP1ADRA2CLMNA
SCHEMBL12014397 0.68 ADRA2C (0.41) CHRNA7METAP1CHRM5ADRA2C
SCHEMBL65466 0.66 METAP1 (0.38) CHRNA7METAP1CHRM5ADRA2C
Pimeclone SCHEMBL545058 0.66 CHRM5 (0.47) CHRNA7METAP1CHRM5ADRA2CKMT2A
SCHEMBL13609489 0.65 CHRNA7 (0.47) CHRNA7METAP1CHRM5ADRA2C
Pimeclone SCHEMBL4551919 0.65 CHRM5 (0.45) CHRNA7METAP1CHRM5ADRA2CKMT2A
SCHEMBL12949415 0.64 CHRM5 (0.43) CHRNA7METAP1CHRM5ADRA2CKMT2A

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 CHRNA7 4821/4885METAP1 890/4885CHRM5 4403/4885

“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.