SCHEMBL23064366

SCHEMBL23064366

CN(C)C(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.58
NR1H3 Q13133 1/20 0.58
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
P2RY12 Q9H244 12/20 0.47
TLR9 Q9NR96 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KIT P10721 1/20 0.42
POLB P06746 1/20 0.42
AURKA O14965 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL2420272 0.90 NR1H2 (0.51) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL2417915 0.87 MEN1 (0.52) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL2419414 0.87 MEN1 (0.52) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL31050093 0.87 MEN1 (0.52) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL2418785 0.87 MEN1 (0.52) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL2419355 0.85 P2RY12 (0.62) MEN1KMT2AP2RY12
SCHEMBL2419418 0.84 CXCR3 (0.51) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL2366192 0.83 MEN1 (0.55) NR1H2NR1H3MEN1KMT2AGPR119
SCHEMBL4109651 0.83 P2RY12 (0.56) NR1H2NR1H3MEN1KMT2AP2RY12
SCHEMBL18837997 0.83 NR1H2 (0.82) NR1H2NR1H3MEN1KMT2AGPR119

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976062-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2024-05-07 US disclosed
EP-3789383-B9 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2024-02-28 EP disclosed
EP-3789383-B1 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2023-11-29 EP disclosed
US-20230114195-A1 BENZISOXAZOLE COMPOUND KYOTO UNIVERSITY (JP) 2023-04-13 US disclosed
US-11548882-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2023-01-10 US disclosed
US-20210238171-A1 BENZISOXAZOLE COMPOUND INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) 2021-08-05 US disclosed
EP-3789383-A1 BENZISOXAZOLE COMPOUND Osaka University (JP) 2021-03-10 EP disclosed
CN-112204017-A Benzisoxazole compounds 国立大学法人大阪大学 2021-01-08 CN 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 (4 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-20210238171-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 NR1H2 342/4885NR1H3 290/4885MEN1 3672/4885
US-11976062-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 NR1H2 340/4885NR1H3 284/4885MEN1 3694/4885
US-11548882-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 NR1H2 342/4885NR1H3 290/4885MEN1 3672/4885
US-20230114195-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 NR1H2 352/4885NR1H3 297/4885MEN1 3692/4885

“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.