SCHEMBL3640317

SCHEMBL3640317

COc1cccc(CC2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
ABHD6 Q9BV23 1/20 0.51
DAGLA Q9Y4D2 1/20 0.51
USP30 Q70CQ3 1/20 0.49
CCR3 P51677 1/20 0.48
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
EED O75530 1/20 0.47
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
FKBP1A P62942 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL10132498 0.86 NR1H2 (0.48) DAGLAHCRTR1HCRTR2NR1H2NR1H3
SCHEMBL10132273 0.85 GPR119 (0.49) ABHD6DAGLACCR3HCRTR1HCRTR2
SCHEMBL10132370 0.85 ALDH1A1 (0.50) USP30HCRTR1HCRTR2NR1H2NR1H3
SCHEMBL14940097 0.85 NR1H2 (0.47) DAGLAUSP30HCRTR1HCRTR2NR1H2
SCHEMBL14940096 0.85 NR1H2 (0.47) DAGLAUSP30HCRTR1HCRTR2NR1H2
SCHEMBL25698255 0.85 HRH3 (0.57) HRH3ABHD6DAGLAHCRTR1HCRTR2
SCHEMBL4321779 0.85 CHRNB4 (0.48) HRH3USP30ALDH1A1CHRNB4CHRNA3
SCHEMBL4321782 0.85 CHRNB4 (0.48) HRH3USP30ALDH1A1CHRNB4CHRNA3
SCHEMBL698218 0.85 NR1H2 (0.54) ABHD6DAGLANR1H2NR1H3MEN1
SCHEMBL698422 0.85 NR1H2 (0.54) ABHD6DAGLANR1H2NR1H3MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 EP disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
EP-4069366-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2022-10-12 EP disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 WO disclosed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO 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 (3 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 HRH3 447/4885ABHD6 4294/4885DAGLA 3561/4885
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 HRH3 3954/4885ABHD6 3275/4885DAGLA 3969/4885
US-20210188827-A1 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.