SCHEMBL18912059

SCHEMBL18912059

CCCC1CCN(CCN=C=S)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
HRH3 Q9Y5N1 2/20 0.39
GNAO1 P09471 3/20 0.39
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD2 P14416 2/20 0.35
CHRM3 P20309 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.32
KCNH2 Q12809 1/20 0.31
GNAI3 P08754 2/20 0.31
GNAI1 P63096 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL7741719 0.76 GNAO1 (0.49) HRH3GNAO1CHRM2CHRM4CHRM5
Fluoride SCHEMBL30330474 0.74 GNAO1 (0.47) HRH3GNAO1CHRM2CHRM4CHRM5
SCHEMBL15269270 0.72 TRPA1 (0.39) NAAACYP1A2SIGMAR1
SCHEMBL14380398 0.72 GNAO1 (0.59) HRH3GNAO1CHRM2CHRM4CHRM5
SCHEMBL1269251 0.72 LMNA (0.43) NAAAHRH3CYP1A2CARM1PRMT6
SCHEMBL17274384 0.71 NAAA (0.81) NAAAKCNH2SIGMAR1CARM1PRMT6
SCHEMBL24207822 0.71 GNAO1 (0.53) HRH3GNAO1CHRM2CHRM4CHRM5
SCHEMBL14393786 0.71 CYP1A2 (0.46) HRH3GNAO1CHRM2CHRM4CHRM5
SCHEMBL7739859 0.71 GNAO1 (0.45) HRH3GNAO1CHRM2CHRM4CHRM5
SCHEMBL13906105 0.71 GNAO1 (0.45) HRH3GNAO1CHRM2CHRM4CHRM5

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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE CRAT, CPT1A, CPT1B NAAA 63/4885HRH3 782/4885GNAO1 1224/4885

“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.