SCHEMBL30211327

SCHEMBL30211327

ClC1(Cl)CCc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
EPHX2 P34913 2/20 0.37
MAOB P27338 2/20 0.37
EPHX1 P07099 1/20 0.37
MAOA P21397 1/20 0.37
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.32
TSHR P16473 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL10744650 1.00 SIGMAR1 (0.49) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL3926924 0.78 SIGMAR1 (0.47) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL3433240 0.77 SIGMAR1 (0.48) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL28685780 0.76 SIGMAR1 (0.43) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL3560241 0.75 SIGMAR1 (0.57) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL462820 0.75 SIGMAR1 (0.45) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL29392702 0.75 SIGMAR1 (0.45) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL3113866 0.75 SIGMAR1 (0.45) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL6467973 0.75 SIGMAR1 (0.45) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL30376964 0.75 SIGMAR1 (0.57) SIGMAR1DRD2HTR2ATRPM8ADRA1D

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-11505545-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-22 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-11505545-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 SIGMAR1 1105/4885DRD2 1573/4885HTR2A 1215/4885

“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.