SCHEMBL16079041

SCHEMBL16079041

CCCCNC(=O)CCN1CCC(CCCC2CCN(CC(=O)NC)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.44
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
GNAI3 P08754 4/20 0.39
GNAO1 P09471 4/20 0.39
GNAI1 P63096 4/20 0.39
OPRD1 P41143 1/20 0.38

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
SCHEMBL16122917 0.94 ALDH1A1 (0.46) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL16079061 0.85 ALDH1A1 (0.45) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL19487702 0.85 ALDH1A1 (0.43) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL16077714 0.83 ALDH1A1 (0.45) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL16079059 0.83 GNAI3 (0.46) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL16077715 0.82 ALDH1A1 (0.43) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL16077705 0.82 GNAI3 (0.43) ALDH1A1GNAI3GNAO1GNAI1OPRD1
SCHEMBL24703430 0.81 GNAI3 (0.45) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL19520072 0.80 ALDH1A1 (0.44) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL22168402 0.79 POLB (0.46) SIGMAR1ALDH1A1CHRM1CHRM2CHRM4

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-20140271526-A1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT MERIAL LIMITED (US) 2014-09-18 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-20140271526-A1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT PUF60, PARG, PAM SIGMAR1 163/4885ALDH1A1 4386/4885CHRM1 4086/4885

“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.