SCHEMBL24319936

SCHEMBL24319936

CNNCC(C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CYP2D6 P10635 1/20 0.44
CTSK P43235 9/20 0.42
CTSS P25774 5/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ATM Q13315 1/20 0.38
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 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
SCHEMBL4932070 0.85 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL4932075 0.85 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL29455726 0.85 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL19860674 0.84 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL23995847 0.84 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL12274268 0.81 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL10522274 0.81 CA1 (0.59) CA1CA2CA7CYP2D6CTSK
SCHEMBL22365651 0.81 CA1 (0.59) CA1CA2CA7CYP2D6CTSK
SCHEMBL18598120 0.79 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL12184816 0.79 CA1 (0.49) CA1CA2CA7CYP2D6CTSK

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
CN-114555596-B Radiolabelled MGL PET ligands 詹森药业有限公司 2025-02-25 CN disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 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-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 CA1 4071/4885CA2 3467/4885CA7 3941/4885

“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.