SCHEMBL312188

SCHEMBL312188

CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
POLB P06746 2/20 0.69
OPRM1 P35372 2/20 0.69
CHRM2 P08172 1/20 0.69
CHRM1 P11229 1/20 0.69
OPRD1 P41143 1/20 0.69
KDM4E B2RXH2 7/20 0.66
HPGD P15428 5/20 0.66
HSD17B10 Q99714 4/20 0.66
LMNA P02545 3/20 0.66
MAPT P10636 1/20 0.66
KCNH2 Q12809 6/20 0.56
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALB P02768 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TOP2A P11388 1/20 0.49

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
SCHEMBL9636141 0.91 KDM4E (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10569538 0.89 KCNH2 (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL312998 0.89 ALDH1A1 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL27691603 0.89 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL14471355 0.88 ALDH1A1 (0.76) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10694326 0.88 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8433086 0.87 ALDH1A1 (0.61) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8433462 0.87 ALDH1A1 (0.65) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10695481 0.87 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8434199 0.87 ALDH1A1 (0.75) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093381-B2 Method of synthesis of fluoroquinolones BIOCODEX (FR) 2012-01-10 US disclosed
EP-2138490-B1 New method for synthesis of fluoroquinolones BIOCODEX (FR) 2011-08-31 EP disclosed
US-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES BIOCODEX (FR) 2009-02-26 US 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-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES NQO2, Q6ZSR9, QARS1 ALDH1A1 3146/4885POLB 884/4885OPRM1 2056/4885

“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.