SCHEMBL30972121

SCHEMBL30972121

COC1CCCN(CCOCc2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HRH3 Q9Y5N1 3/20 0.43
POLB P06746 2/20 0.41
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 2/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL30971963 0.93 DRD4 (0.43) ALDH1A1L3MBTL1HRH3LTA4HDRD4
SCHEMBL30971911 0.85 EGFR (0.47) ALDH1A1L3MBTL1HRH3KDM4EDRD4
SCHEMBL30972154 0.81 LTA4H (0.54) LTA4H
SCHEMBL30972142 0.80 LTA4H (0.52) HRH3LTA4H
SCHEMBL30972116 0.78 SIGMAR1 (0.41) ALDH1A1L3MBTL1HRH3KDM4EDRD4
SCHEMBL30972091 0.78 HRH3 (0.47) L3MBTL1HRH3KDM4E
SCHEMBL30972054 0.76 HRH4 (0.51) ALDH1A1HRH3LTA4HKDM4E
SCHEMBL12911992 0.72 CYP2D6 (0.43) ALDH1A1HRH3KDM4E
SCHEMBL30972139 0.72 HRH3 (0.47) HRH3LTA4H
SCHEMBL30972035 0.72 PRMT5 (0.37) HRH3

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 ALDH1A1 3923/4885L3MBTL1 2941/4885HRH3 3804/4885

“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.