SCHEMBL30971963

SCHEMBL30971963

COC1CCN(CCOCc2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
LTA4H P09960 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL30972121 0.93 ALDH1A1 (0.43) DRD4LTA4HHRH3L3MBTL1ALDH1A1
SCHEMBL30971911 0.93 EGFR (0.47) DRD4SIGMAR1EGFRERBB2HRH3
SCHEMBL30972116 0.85 SIGMAR1 (0.41) DRD4SIGMAR1HRH3L3MBTL1ALDH1A1
SCHEMBL30972091 0.82 HRH3 (0.47) SIGMAR1HRH3L3MBTL1KMT2A
SCHEMBL30972054 0.78 HRH4 (0.51) SIGMAR1EGFRERBB2LTA4HHRH3
SCHEMBL28265317 0.78 SIGMAR1 (0.55) DRD4SIGMAR1EGFRERBB2HRH3
SCHEMBL30972154 0.77 LTA4H (0.54) LTA4H
SCHEMBL30972142 0.76 LTA4H (0.52) LTA4HHRH3
SCHEMBL30972139 0.74 HRH3 (0.47) LTA4HHRH3PRMT5WDR77HRH4
SCHEMBL30972035 0.73 PRMT5 (0.37) HRH3KMT2APRMT5WDR77HRH4

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 DRD4 4867/4885SIGMAR1 4843/4885EGFR 907/4885

“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.