SCHEMBL30972154

SCHEMBL30972154

c1ccc(COCCN2CCCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.54
PTGS2 P35354 1/20 0.52
MET P08581 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30972142 0.98 LTA4H (0.52) LTA4HPTGS2METCHRNB2CHRNA4
SCHEMBL30972054 0.88 HRH4 (0.51) LTA4H
SCHEMBL30971911 0.82 EGFR (0.47) TDP1
SCHEMBL30972121 0.81 ALDH1A1 (0.43) LTA4H
SCHEMBL5960435 0.79 HRH3 (0.50) LTA4H
SCHEMBL868571 0.78 HRH3 (0.56)
SCHEMBL30972035 0.77 PRMT5 (0.37)
SCHEMBL30971963 0.77 DRD4 (0.43) LTA4H
SCHEMBL3939455 0.77 HRH3 (0.55)
SCHEMBL14058727 0.77 HRH3 (0.55)

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-20240207263-A1 SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE AND USES THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2024-06-27 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-20240207263-A1 SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE AND USES THEREOF ATM, CHEK2, CHEK1 LTA4H 4650/4885PTGS2 3471/4885MET 1782/4885

“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.