SCHEMBL30972091

SCHEMBL30972091

CN(C)C1CCN(CCOCc2ccccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.47
HRH1 P35367 2/20 0.47
HRH2 P25021 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MITF O75030 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
KDM1A O60341 1/20 0.42
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.82 DRD4 (0.43) HRH3L3MBTL1SIGMAR1KMT2A
SCHEMBL30971911 0.79 EGFR (0.47) HRH3KDM4EL3MBTL1SIGMAR1KMT2A
SCHEMBL30972121 0.78 ALDH1A1 (0.43) HRH3KDM4EL3MBTL1
SCHEMBL30972116 0.77 SIGMAR1 (0.41) HRH3KDM4EL3MBTL1SIGMAR1
SCHEMBL30972054 0.77 HRH4 (0.51) HRH3KDM4ESIGMAR1KMT2A
SCHEMBL30972154 0.76 LTA4H (0.54) TDP1
SCHEMBL30972142 0.75 LTA4H (0.52) HRH3HRH1
SCHEMBL30972139 0.73 HRH3 (0.47) HRH3
SCHEMBL30972035 0.73 PRMT5 (0.37) HRH3KDM1AKMT2A
SCHEMBL28265317 0.69 SIGMAR1 (0.55) HRH3KDM1ASIGMAR1

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 HRH3 3804/4885HRH1 2814/4885HRH2 3951/4885

“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.