SCHEMBL25698281

SCHEMBL25698281

COc1ccc(CC2CCCCCN2C(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.52
DAGLA Q9Y4D2 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX2 P34913 1/20 0.48
DAGLB Q8NCG7 3/20 0.48
DPP4 P27487 1/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 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
SCHEMBL25698247 0.95 HRH3 (0.54) ABHD6DAGLAHRH3ALDH1A1TSHR
SCHEMBL23477764 0.85 ABHD6 (0.54) ABHD6DAGLAHRH3ALDH1A1TSHR
SCHEMBL25698280 0.85 HSD11B1 (0.44) ABHD6DAGLAKMT2ADAGLBDPP4
SCHEMBL25698277 0.84 ACACB (0.44) ABHD6DAGLAALDH1A1KMT2AHPGD
SCHEMBL30360947 0.84 HRH3 (0.54) ABHD6DAGLAHRH3ALDH1A1DAGLB
SCHEMBL11481440 0.83 HSD11B1 (0.57) ABHD6DAGLAKMT2ADAGLBDPP4
SCHEMBL11575911 0.83 HRH3 (0.51) ABHD6DAGLAHRH3ALDH1A1TSHR
SCHEMBL27651068 0.82 HSD11B1 (0.58) ABHD6DAGLAKMT2ADAGLBDPP4
SCHEMBL23458983 0.81 EPHX2 (0.47) ABHD6DAGLAHRH3ALDH1A1TSHR
SCHEMBL25698244 0.80 ACACB (0.45) ABHD6DAGLAHRH3KMT2ADPP4

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 ABHD6 3275/4885DAGLA 3969/4885HRH3 3954/4885

“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.