SCHEMBL23459127

SCHEMBL23459127

O=C(O)N1CCC[C@H]1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.57
GABRA1 P14867 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
HSD11B1 P28845 1/20 0.55
MC4R P32245 2/20 0.52
MC3R P41968 2/20 0.52
MC1R Q01726 2/20 0.52
DAGLA Q9Y4D2 9/20 0.52
ABHD6 Q9BV23 8/20 0.52
HRH3 Q9Y5N1 1/20 0.50
DPP4 P27487 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL908981 1.00 SCD5 (0.57) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4629395 0.95 HSD11B1 (0.61) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4964339 0.95 HSD11B1 (0.61) SCD5GABRA1GABRG2GABRB3GABRA3
Hydrochloric Acid SCHEMBL29238125 0.94 HSD11B1 (0.60) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18862951 0.90 HSD11B1 (0.48) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18862950 0.90 HSD11B1 (0.48) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL11378515 0.87 ABCB1 (0.57) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL17092974 0.87 SCD5 (0.45) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL11377372 0.86 SCD5 (0.54) SCD5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4961994 0.84 SLC18A2 (0.55) HRH3MEN1NPC1RAB9AKMT2A

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 3 patents. 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SCD5 3683/4885GABRA1 4227/4885GABRG2 3655/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 SCD5 3683/4885GABRA1 4227/4885GABRG2 3655/4885

“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.