SCHEMBL22010486

SCHEMBL22010486

CC(C)(C)OC(=O)N1C[C@H]2CC(c3ccc(Oc4cccc(C#N)c4)cc3)=C[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.42
GPR119 Q8TDV5 3/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
MGLL Q99685 5/20 0.38
EGLN2 Q96KS0 2/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL22010505 1.00 BTK (0.42) BTKGPR119CCNT1CDK9MGLL
SCHEMBL22010771 0.91 GPR119 (0.48) BTKGPR119CCNT1CDK9EGLN2
SCHEMBL22010769 0.91 GPR119 (0.48) BTKGPR119CCNT1CDK9EGLN2
SCHEMBL22010912 0.87 BTK (0.44) BTKGPR119CCNT1CDK9BACE1
SCHEMBL22011041 0.87 BTK (0.44) BTKGPR119CCNT1CDK9BACE1
SCHEMBL30161685 0.86 BTK (0.52) BTKGPR119CCNT1CDK9
SCHEMBL22010906 0.86 BTK (0.52) BTKGPR119CCNT1CDK9
SCHEMBL22011512 0.84 CCNT1 (0.43) BTKGPR119CCNT1CDK9
SCHEMBL22010768 0.84 CCNT1 (0.43) BTKGPR119CCNT1CDK9
SCHEMBL22010468 0.81 BTK (0.47) BTKGPR119CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO 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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC BTK 1478/4885GPR119 4033/4885CCNT1 2969/4885

“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.