SCHEMBL420355

SCHEMBL420355

CCCOC(=O)CCN1CCC(CCCN2CCN(CCC(=O)OCCC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.47
CHRM1 P11229 3/20 0.47
DRD2 P14416 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
DRD4 P21917 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 5/20 0.40
HTR4 Q13639 5/20 0.40
HRH2 P25021 3/20 0.40
GNAO1 P09471 1/20 0.40

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
SCHEMBL420320 0.94 CHRM1 (0.46) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL13988123 0.90 SMN1; SMN2 (0.43) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL10036917 0.87 HRH1 (0.45) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL10036916 0.86 CHRM1 (0.44) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL13160777 0.85 HRH3 (0.44) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL13160749 0.85 CHRM1 (0.41) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL13670291 0.85 NAAA (0.45) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL15315851 0.85 HRH1 (0.44) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL13160756 0.84 SMN1; SMN2 (0.41) HRH1CHRM1DRD2CHRM2CHRM4
SCHEMBL13988121 0.84 ACHE (0.43) HRH1CHRM1DRD2CHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-28 US disclosed
US-20120065358-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-15 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-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, NPEPPS HRH1 2568/4885CHRM1 4451/4885DRD2 2496/4885

“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.