SCHEMBL6160120

SCHEMBL6160120

Cc1c(N2CCC([C@@H]3C[C@@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.48
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
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
GSK3B P49841 10/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP3A4 P08684 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MATK P42679 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40

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
SCHEMBL6160126 0.88 KCNH2 (0.35) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5619262 0.86 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6959217 0.86 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5619269 0.86 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8544340 0.86 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL13483614 0.86 POLB (0.59) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6948764 0.84 CYP3A4 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4673865 0.84 CYP3A4 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8791362 0.83 KCNH2 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8791366 0.83 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0919553-B1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-03-02 EP claimed
US-20020183523-A1 Cis-substituted aminocyclopropane derivative DAIICHI PHARMACEUTICAL CO., LTD 2002-12-05 US claimed
US-6391889-B2 POTENT ANTIMICROBIAL ACTIVITY ON BROAD RANGE OF MICROORGANISMS, E.G., STAPHYLOCOCCUS, GRAMPOSITIVE BACTERIA AND QUINOLONE ANTIBIOTIC RESISTANCE; SIDE EFFECT REDUCTION; NONTOXIC DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US claimed
US-20020052502-A1 Cis-substituted aminocyclopropane derivative DAIICHI PHARMACEUTICAL CO., LTD. 2002-05-02 US claimed
US-20020002182-A1 CIS-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US claimed
EP-0919553-A1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-02 EP claimed
US-6949662-B2 Cis-substituted aminocyclopropane derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 US disclosed
EP-0919553-B1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-03-02 EP disclosed
US-20020183523-A1 Cis-substituted aminocyclopropane derivative DAIICHI PHARMACEUTICAL CO., LTD 2002-12-05 US disclosed
US-6462040-B1 MICROBIOCIDES; BACTERIOCIDES; ANTIPROTOZOA AGENTS; QUINOLONE ANTIBIOTICS; SIDE EFFECT REDUCTION; ANTIBIOTIC-RESISTANT BACTERIA INCLUDING STAPHYLOCCOCUS; VETERINARY MEDICINE DAIICHO PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US disclosed
US-6391889-B2 POTENT ANTIMICROBIAL ACTIVITY ON BROAD RANGE OF MICROORGANISMS, E.G., STAPHYLOCOCCUS, GRAMPOSITIVE BACTERIA AND QUINOLONE ANTIBIOTIC RESISTANCE; SIDE EFFECT REDUCTION; NONTOXIC DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US disclosed
US-20020052502-A1 Cis-substituted aminocyclopropane derivative DAIICHI PHARMACEUTICAL CO., LTD. 2002-05-02 US disclosed
US-20020002182-A1 CIS-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
EP-0919553-A1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-02 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 (3 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-20020052502-A1 Cis-substituted aminocyclopropane derivative SLC11A2, MYD88, ARG1 KCNH2 4291/4885POLB 368/4885CACNA1F 4471/4885
US-20020002182-A1 CIS-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES PHOSPHO1, CCR2, ECH1 KCNH2 557/4885POLB 1037/4885CACNA1F 3036/4885
US-20020183523-A1 Cis-substituted aminocyclopropane derivative SLC11A2, MYD88, ARG1 KCNH2 4291/4885POLB 368/4885CACNA1F 4471/4885

“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.