SCHEMBL5619262

SCHEMBL5619262

Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@H]3F)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.58
POLB P06746 2/20 0.48
CACNA1F O60840 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
GSK3B P49841 5/20 0.45
CYP3A4 P08684 1/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL5619269 1.00 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8544340 1.00 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6959217 1.00 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8791362 0.91 KCNH2 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8791366 0.91 KCNH2 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7082175 0.91 KCNH2 (0.71) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8541774 0.91 KCNH2 (0.71) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7082178 0.91 KCNH2 (0.71) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5619250 0.90 KCNH2 (0.47) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6160120 0.86 KCNH2 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D

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 KCNH2 192/4885POLB 2509/4885CACNA1F 1627/4885

“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.