SCHEMBL13028114

SCHEMBL13028114

CC(C)(C)OC(=O)N1CCC(n2c(=O)n(-c3cccc(C(=O)Nc4cnccc4N4CCN(C(=O)OC(C)(C)C)CC4)n3)c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.46
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OGFRL1 Q5TC84 2/20 0.44
▸ GPR119 Q8TDV5 2/20 0.39
▸ PIM1 P11309 4/20 0.39
▸ PIM3 Q86V86 4/20 0.39
▸ PIM2 Q9P1W9 3/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ TNF P01375 1/20 0.38

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
SCHEMBL13028079 0.89 BACE1 (0.47) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13156296 0.86 CHEK1 (0.49) BACE1OPRM1OPRD1OGFRL1PIM1
SCHEMBL13028115 0.85 BACE1 (0.44) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028118 0.84 BACE1 (0.43) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13027459 0.84 CHEK1 (0.53) PIM1PIM3PIM2CHEK1
SCHEMBL13028097 0.83 BACE1 (0.46) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028108 0.83 BACE1 (0.46) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028111 0.83 BACE1 (0.42) BACE1GPR119CHEK1MTOR
SCHEMBL13028209 0.79 BACE1 (0.50) BACE1PIM1PIM3PIM2CHEK1
SCHEMBL13028145 0.78 BACE1 (0.48) BACE1PIM1PIM3PIM2CHEK1

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-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 — — US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 BACE1 550/4885OPRM1 4617/4885OPRD1 4294/4885

“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.

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