SCHEMBL500401

SCHEMBL500401

Cc1c(N2C[C@H](CNC3CC3)[C@H](F)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
ALDH1A1 P00352 6/20 0.42
POLB P06746 3/20 0.42
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRD1 P41143 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 5/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL500402 1.00 KCNH2 (0.50) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL500567 0.93 ALDH1A1 (0.43) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL500566 0.93 ALDH1A1 (0.43) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL500829 0.92 KCNH2 (0.59) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL500828 0.92 KCNH2 (0.59) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL500560 0.90 ALDH1A1 (0.54) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL500559 0.90 ALDH1A1 (0.54) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL501026 0.90 KCNH2 (0.54) KCNH2ALDH1A1POLBOPRM1LMNA
SCHEMBL501027 0.90 KCNH2 (0.54) KCNH2ALDH1A1POLBOPRM1LMNA
SCHEMBL7468329 0.88 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1666477-A1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-06-07 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 (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 2356/4885ALDH1A1 2406/4885POLB 186/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA KCNH2 2174/4885ALDH1A1 2601/4885POLB 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.