SCHEMBL13670291

SCHEMBL13670291

CCCCCCOC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCCCC)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.45
GNAO1 P09471 2/20 0.45
GNAI3 P08754 1/20 0.45
GNAI1 P63096 1/20 0.45
HTR2C P28335 1/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL10036916 0.99 CHRM1 (0.44) NAAADGKAGNAO1GNAI3GNAI1
SCHEMBL15315851 0.97 HRH1 (0.44) NAAADGKAGNAO1GNAI3GNAI1
SCHEMBL10036917 0.94 HRH1 (0.45) DGKAGNAO1GNAI3GNAI1CHRM1
SCHEMBL420320 0.90 CHRM1 (0.46) DGKAGNAO1GNAI3GNAI1CHRM1
SCHEMBL13988121 0.89 ACHE (0.43) DGKAGNAO1GNAI3GNAI1CHRM1
SCHEMBL15781598 0.88 GNAO1 (0.40) NAAADGKAGNAO1GNAI3GNAI1
SCHEMBL18906340 0.88 GNAO1 (0.43) NAAADGKAGNAO1GNAI3GNAI1
SCHEMBL19036161 0.87 HRH1 (0.41) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL13160777 0.86 HRH3 (0.44) DGKAGNAO1GNAI3GNAI1CHRM1
SCHEMBL13160749 0.86 CHRM1 (0.41) DGKAGNAO1GNAI3GNAI1CHRM1

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-20090258045-A1 STRUCTURES INCLUDING ANTIMICROBIAL PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-10-15 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-20090258045-A1 STRUCTURES INCLUDING ANTIMICROBIAL PEPTIDES NGLY1, VIP, PCBP1 NAAA 325/4885DGKA 2096/4885GNAO1 4662/4885

“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.