SCHEMBL500423

SCHEMBL500423

COc1c(N2C[C@@H](CNC3CC3)[C@H](F)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
CACNA1F O60840 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
GSK3B P49841 13/20 0.45
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37

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
SCHEMBL500422 1.00 KCNH2 (0.46) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL501110 0.93 KCNH2 (0.55) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL501111 0.93 KCNH2 (0.55) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL500823 0.90 CACNA1F (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL500824 0.90 CACNA1F (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL15062970 0.89 CYP3A4 (0.35) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL7468912 0.89 KCNH2 (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL7463545 0.89 KCNH2 (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL501027 0.84 KCNH2 (0.54) KCNH2POLBGSK3BCYP3A4MEN1
SCHEMBL501026 0.84 KCNH2 (0.54) KCNH2POLBGSK3BCYP3A4MEN1

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-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US claimed
US-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field ASAHINA YOSHIKAZU 2009-07-09 US claimed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US claimed
EP-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP disclosed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field ASAHINA YOSHIKAZU 2009-07-09 US disclosed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 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 (2 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-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field CLPP, PRSS1, FOSB KCNH2 2356/4885CACNA1F 946/4885POLB 186/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA KCNH2 2174/4885CACNA1F 1311/4885POLB 340/4885

“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.