SCHEMBL5619489

SCHEMBL5619489

C[C@H](c1ccccc1)N1CC[C@@H](C(NC(=O)OC(C)(C)C)c2ccccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.39
KDM4D Q6B0I6 3/20 0.39
ADORA2A P29274 2/20 0.39
CTSK P43235 2/20 0.39
ACKR3 P25106 1/20 0.37
MMP13 P45452 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
SCN9A Q15858 2/20 0.36
CHRM4 P08173 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL5619488 1.00 ADORA2B (0.39) ADORA2BKDM4DADORA2ACTSKACKR3
SCHEMBL4715472 0.88 CTSK (0.43) CTSKCHRM4GPR119
SCHEMBL4714909 0.88 CTSK (0.43) CTSKCHRM4GPR119
SCHEMBL5618862 0.85 KDM4D (0.41) ADORA2BKDM4DADORA2ACTSKACKR3
SCHEMBL5618868 0.85 KDM4D (0.41) ADORA2BKDM4DADORA2ACTSKACKR3
SCHEMBL5618864 0.84 SCN8A (0.40) ADORA2BADORA2ACTSK
SCHEMBL5618869 0.84 SCN8A (0.40) ADORA2BADORA2ACTSK
SCHEMBL5619371 0.83 KMT2A (0.46) ADORA2BADORA2ACTSKSCN9A
SCHEMBL5619366 0.83 KMT2A (0.46) ADORA2BADORA2ACTSKSCN9A
SCHEMBL5619154 0.83 ADORA2B (0.39) ADORA2BKDM4DADORA2ACTSKSCN9A

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 ADORA2B 2629/4885KDM4D 1155/4885ADORA2A 2599/4885

“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.