SCHEMBL25698255

SCHEMBL25698255

COc1cccc(CC2CCCN2C(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.57
ABHD6 Q9BV23 1/20 0.52
DAGLA Q9Y4D2 1/20 0.52
EED O75530 2/20 0.51
HCRTR1 O43613 3/20 0.51
HCRTR2 O43614 3/20 0.51
ATM Q13315 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
OPRK1 P41145 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46
DAGLB Q8NCG7 2/20 0.46

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
SCHEMBL23459022 0.86 ABHD6 (0.54) HRH3ABHD6DAGLAEEDHCRTR1
SCHEMBL25698266 0.85 ATM (0.55) HRH3ABHD6DAGLAEEDHCRTR1
SCHEMBL3640317 0.85 HRH3 (0.53) HRH3ABHD6DAGLAEEDHCRTR1
SCHEMBL25698247 0.84 HRH3 (0.54) HRH3ABHD6DAGLAHCRTR1HCRTR2
SCHEMBL25698254 0.83 HCRTR1 (0.47) HCRTR1HCRTR2CHRNB4CHRNA3
SCHEMBL25698252 0.83 ATM (0.55) HRH3ABHD6DAGLAHCRTR1HCRTR2
SCHEMBL11379154 0.81 CHRNB4 (0.66) HRH3EEDATMCHRNB4CHRNA3
SCHEMBL11378515 0.81 ABCB1 (0.57) ABHD6DAGLAMEN1KMT2A
SCHEMBL6985734 0.80 HCRTR1 (0.56) HRH3ABHD6DAGLAHCRTR1HCRTR2
SCHEMBL25698281 0.80 ABHD6 (0.52) HRH3ABHD6DAGLAHCRTR1HCRTR2

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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 HRH3 3954/4885ABHD6 3275/4885DAGLA 3969/4885

“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.