SCHEMBL29324499

SCHEMBL29324499

N#Cc1ccnc(OC2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.56
HCRTR2 O43614 18/20 0.45
HCRTR1 O43613 16/20 0.45
MAP3K12 Q12852 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
SCHEMBL24660474 0.92 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL27227366 0.86 ROCK1 (0.46) LOXLOXL2HCRTR2HCRTR1
SCHEMBL4937719 0.85 HDAC6 (0.47) HCRTR2HCRTR1MAP3K12
SCHEMBL18069308 0.84 ROCK1 (0.50) LOXLOXL2HCRTR2HCRTR1
SCHEMBL15649616 0.84 ROCK1 (0.50) LOXLOXL2HCRTR2HCRTR1
SCHEMBL27303190 0.84 HCRTR2 (0.43) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL18049105 0.83 ROCK1 (0.49) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL18049143 0.83 ROCK1 (0.49) HCRTR2HCRTR1
SCHEMBL450089 0.82 HRH3 (0.57) HCRTR2HCRTR1
SCHEMBL911496 0.80 SLC6A2 (0.54) HCRTR2HCRTR1MAP3K12

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-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 LOX 3999/4885LOXL2 3365/4885HCRTR2 4817/4885

“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.