SCHEMBL5619781

SCHEMBL5619781

CC(C)(C)OC(=O)N[C@@H](c1cccnc1)C1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.42
SLC6A4 P31645 13/20 0.42
SLC6A2 P23975 12/20 0.42
CDK2 P24941 1/20 0.42
NAMPT P43490 1/20 0.41
SLC6A3 Q01959 5/20 0.41
RAB9A P51151 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL5619785 1.00 AKT1 (0.42) AKT1SLC6A4SLC6A2CDK2NAMPT
SCHEMBL4715527 0.87 SMYD3 (0.46) AKT1SLC6A4SLC6A2CDK2SLC6A3
SCHEMBL4715530 0.87 SMYD3 (0.46) AKT1SLC6A4SLC6A2CDK2SLC6A3
SCHEMBL5619214 0.80 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3AAK1
SCHEMBL5619219 0.80 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3AAK1
SCHEMBL4116055 0.79 SMYD3 (0.53) AKT1CDK2
SCHEMBL15719386 0.78 SLC6A2 (0.45) SLC6A4SLC6A2
SCHEMBL5618862 0.78 KDM4D (0.41) NAMPT
SCHEMBL5618868 0.78 KDM4D (0.41) NAMPT
SCHEMBL5619310 0.77 CTSS (0.39) RAB9AAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 EP 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 AKT1 2395/4885SLC6A4 2252/4885SLC6A2 2947/4885

“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.