SCHEMBL5619366

SCHEMBL5619366

CC(c1ccccc1)N1CC([C@@H](NC(=O)OC(C)(C)C)c2ccccn2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.39
CTSK P43235 3/20 0.37
SCN9A Q15858 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
CTSS P25774 1/20 0.36
TSHR P16473 1/20 0.35
KCNA5 P22460 2/20 0.35

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
SCHEMBL5619371 1.00 KMT2A (0.46) KMT2AMAPK1CTSKSCN9AADORA2A
SCHEMBL4712370 0.88 KMT2A (0.53) KMT2AMAPK1CTSKCTSS
SCHEMBL4712368 0.88 KMT2A (0.53) KMT2AMAPK1CTSKCTSS
SCHEMBL27561234 0.88 KMT2A (0.53) KMT2AMAPK1CTSKCTSS
SCHEMBL5618981 0.85 KMT2A (0.46) KMT2AMAPK1CTSKSCN9AADORA2A
SCHEMBL5618985 0.85 KMT2A (0.46) KMT2AMAPK1CTSKSCN9AADORA2A
SCHEMBL5619154 0.85 ADORA2B (0.39) KMT2AMAPK1CTSKSCN9AADORA2A
SCHEMBL5619163 0.84 KMT2A (0.43) KMT2AMAPK1CTSKCTSS
SCHEMBL5619160 0.84 KMT2A (0.43) KMT2AMAPK1CTSKCTSS
SCHEMBL5619489 0.83 ADORA2B (0.39) CTSKSCN9AADORA2AADORA2B

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 KMT2A 630/4885MAPK1 1910/4885CTSK 2744/4885

“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.