SCHEMBL29503589

SCHEMBL29503589

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.46
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
KCNH2 Q12809 1/20 0.42
MET P08581 1/20 0.41
PRKCQ Q04759 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ABCB1 P08183 1/20 0.38
SETD7 Q8WTS6 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
SCHEMBL28675410 1.00 GPR119 (0.46) GPR119SMARCA2SMARCA4PBRM1KCNH2
SCHEMBL23164303 0.86 MGLL (0.38) ALDH1A1MAPT
SCHEMBL31729169 0.85 PRKCQ (0.39) GPR119KCNH2METPRKCQALDH1A1
SCHEMBL22712090 0.83 ALDH1A1 (0.52) GPR119KCNH2METALDH1A1LMNA
SCHEMBL30323005 0.83 ALDH1A1 (0.52) GPR119KCNH2METALDH1A1LMNA
SCHEMBL30006357 0.82 SMARCA2 (0.48) GPR119SMARCA2SMARCA4PBRM1KCNH2
SCHEMBL31727586 0.81 GPR119 (0.47) GPR119SMARCA2SMARCA4PBRM1MET
SCHEMBL16197392 0.81 GPR119 (0.56) GPR119SMARCA2SMARCA4PBRM1KCNH2
SCHEMBL16197393 0.81 GPR119 (0.56) GPR119SMARCA2SMARCA4PBRM1KCNH2
SCHEMBL29969656 0.81 PDE10A (0.41) GPR119KCNH2METALDH1A1LMNA

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
US-12637467-B2 Inhibitor of BTK and mutants thereof NEWAVE PHARMACEUTICAL INC. (US) 2026-05-26 US disclosed
US-20220363689-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2022-11-17 US disclosed
US-20220135569-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2022-05-05 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 (3 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-20220363689-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, SYK, LYN GPR119 2757/4885SMARCA2 2654/4885SMARCA4 2353/4885
US-20220135569-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, SYK, LYN GPR119 2987/4885SMARCA2 2875/4885SMARCA4 2465/4885
US-12637467-B2 Inhibitor of BTK and mutants thereof BTK, CNKSR1, SYK GPR119 3421/4885SMARCA2 3562/4885SMARCA4 4072/4885

“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.