SCHEMBL25698254

SCHEMBL25698254

CC(=O)N1CCCC1Cc1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.47
HCRTR2 O43614 7/20 0.47
CYP3A4 P08684 4/20 0.47
SCD5 Q86SK9 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
BRD4 O60885 1/20 0.42
ABCB1 P08183 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL11378515 0.84 ABCB1 (0.57) SCD5ABCB1GABRA1GABRG2GABRB3
SCHEMBL23572508 0.83 HCRTR1 (0.44) HCRTR1HCRTR2CYP3A4SCD5CHRNB2
SCHEMBL25698255 0.83 HRH3 (0.57) HCRTR1HCRTR2CHRNB4CHRNA3
SCHEMBL23477849 0.83 HCRTR1 (0.44) HCRTR1HCRTR2CYP3A4SCD5CHRNB2
SCHEMBL29997813 0.83 HCRTR1 (0.44) HCRTR1HCRTR2CYP3A4SCD5CHRNB2
SCHEMBL25698242 0.83 DPP4 (0.46) SCD5ABCB1GABRA1GABRG2GABRB3
SCHEMBL27651068 0.80 HSD11B1 (0.58) SCD5ABCB1
SCHEMBL11379853 0.80 CHRNB4 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4ADRA1D
SCHEMBL11481440 0.79 HSD11B1 (0.57) SCD5ABCB1
SCHEMBL25698280 0.78 HSD11B1 (0.44)

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 HCRTR1 4861/4885HCRTR2 4823/4885CYP3A4 4493/4885

“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.