SCHEMBL24760047

SCHEMBL24760047

Cc1cc(OCC2CCCN2)no1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.63
▸ CHRNA5 P30532 1/20 0.63
▸ CHRNB4 P30926 1/20 0.63
▸ CHRNA3 P32297 1/20 0.63
▸ SLC6A2 P23975 3/20 0.60
▸ HRH2 P25021 1/20 0.60
▸ HTR2A P28223 1/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60
▸ SIGMAR1 Q99720 1/20 0.60
▸ SLC6A4 P31645 1/20 0.55

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
SCHEMBL28601081 0.76 SLC6A2 (0.78) SLC6A2HRH2HTR2AHTR2BSLC6A3
SCHEMBL28601084 0.76 SLC6A2 (0.78) SLC6A2HRH2HTR2AHTR2BSLC6A3
SCHEMBL28438949 0.76 SLC6A2 (1.00) SLC6A2HRH2HTR2AHTR2BSLC6A3
SCHEMBL28438946 0.76 SLC6A2 (1.00) SLC6A2HRH2HTR2AHTR2BSLC6A3
SCHEMBL28591137 0.72 SLC6A2 (0.93) SLC6A2HRH2HTR2AHTR2BSLC6A3
SCHEMBL10326519 0.71 CHRNA3 (0.56) CHRNB2CHRNA5CHRNB4CHRNA3
SCHEMBL10326825 0.71 CHRNA3 (0.56) CHRNB2CHRNA5CHRNB4CHRNA3
SCHEMBL10326841 0.71 CHRNA3 (0.56) CHRNB2CHRNA5CHRNB4CHRNA3
SCHEMBL24466889 0.70 CHRNB1 (0.53) CHRNB2CHRNB4CHRNA3
SCHEMBL29770146 0.70 CHRNA3 (0.45) CHRNB4CHRNA3

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-20220402935-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2022-12-22 — — 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-20220402935-A1 HETEROCYCLIC COMPOUND IRAK1, IRAK2, IRAK4 CHRNB2 4774/4885CHRNA5 4355/4885CHRNB4 4858/4885

“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.

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