SCHEMBL6170171

SCHEMBL6170171

CC[C@@H]1C[C@H](N)CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
SCN5A Q14524 1/20 0.37
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TOP1 P11387 2/20 0.32
CACNA1F O60840 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIM3 Q86V86 2/20 0.31
TOP2A P11388 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
SCHEMBL6167792 1.00 KCNH2 (0.38) KCNH2SCN5APOLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL6167755 0.99 KCNH2 (0.37) KCNH2SCN5APOLBALDH1A1CHRM2
SCHEMBL8565386 0.91 SCN5A (0.41) KCNH2SCN5APOLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7501604 0.90 SCN5A (0.41) KCNH2SCN5APOLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL6169685 0.89 KCNH2 (0.31) KCNH2SCN5A
SCHEMBL6170904 0.88 SCN5A (0.39) KCNH2SCN5APOLBALDH1A1CHRM2
SCHEMBL6170804 0.88 SCN5A (0.39) KCNH2SCN5APOLBALDH1A1CHRM2
SCHEMBL8575780 0.88 KCNH2 (0.40) KCNH2SCN5ATOP1PIM1MAPKAPK3
Hydrochloric Acid SCHEMBL6475247 0.87 SCN5A (0.38) KCNH2SCN5APOLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL8561939 0.87 KCNH2 (0.40) KCNH2SCN5ATOP1PIM1MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US claimed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP claimed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US claimed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO claimed

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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KCNH2 1547/4885SCN5A 847/4885POLB 210/4885

“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.