SCHEMBL5619151

SCHEMBL5619151

O=C(O)c1cn([C@@H]2C[C@H]2F)c2c(OC(F)F)[c]ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 4/20 0.35
KDM4E B2RXH2 3/20 0.34
TOP2A P11388 4/20 0.33
TOP2B Q02880 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2670500 1.00 CYP3A4 (0.45) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL2670762 0.87 KCNH2 (0.46) KCNH2KDM4ETOP2ATOP2BALDH1A1
SCHEMBL5619575 0.87 CYP3A4 (0.52) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL2670237 0.87 CYP3A4 (0.52) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL2670399 0.82 KDM4E (0.39) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL5618873 0.82 KDM4E (0.39) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL2670512 0.81 CYP3A4 (0.48) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL2670716 0.81 CYP3A4 (0.46) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL4712706 0.81 CYP3A4 (0.44) CYP3A4KCNH2KDM4ETOP2ATOP2B
SCHEMBL4712708 0.81 CYP3A4 (0.44) CYP3A4KCNH2KDM4ETOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP claimed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 EP claimed
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 CYP3A4 1184/4885KCNH2 192/4885KDM4E 744/4885

“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.