SCHEMBL24434712

SCHEMBL24434712

COc1ccc(N2CC(C(C)C)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHFR P00374 1/20 0.40
ACACB O00763 9/20 0.40
GPR119 Q8TDV5 2/20 0.36

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
SCHEMBL10150978 0.79 GRIN2D (0.45) HRH3DHFRGPR119
SCHEMBL26048795 0.78 HRH3 (0.44) HRH3HCRTR1HCRTR2DHFRACACB
SCHEMBL10121068 0.78 ACACB (0.49) ACACB
SCHEMBL9366521 0.75 HRH3 (0.65) HRH3MEN1KMT2ADHFR
SCHEMBL14650779 0.75 UBE2T (0.51) HRH3MEN1KMT2ADHFR
Hydrochloric Acid SCHEMBL29086063 0.74 HRH3 (0.46) HRH3HCRTR1HCRTR2KMT2ADHFR
Hydrochloric Acid SCHEMBL30585985 0.74 HRH3 (0.46) HRH3HCRTR1HCRTR2KMT2ADHFR
SCHEMBL27837554 0.73 UBE2T (0.50) HRH3MEN1KMT2ADHFR
SCHEMBL3920532 0.72 DHFR (0.48) HRH3MEN1KMT2ADHFR
SCHEMBL30790747 0.72 HRH3 (0.53) HRH3MEN1KMT2ADHFRGPR119

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G HRH3 4540/4885HCRTR1 4007/4885HCRTR2 4451/4885

“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.