SCHEMBL500552

SCHEMBL500552

O=C(O)c1cn(CCF)c2cc(N3C[C@H](CNC4CC4)[C@H](F)C3)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 6/20 0.49
HPGD P15428 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
TOP1 P11387 8/20 0.47
HSD17B10 Q99714 5/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
BRD4 O60885 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
TOP2A P11388 1/20 0.43

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
SCHEMBL500553 1.00 ALDH1A1 (0.59) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL500471 0.91 DRD3 (0.59) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL502106 0.91 DRD3 (0.59) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL500470 0.91 DRD3 (0.59) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL499945 0.87 ALDH1A1 (0.45) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL500700 0.87 ALDH1A1 (0.45) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL499944 0.87 ALDH1A1 (0.45) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL500757 0.87 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL500758 0.87 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL500376 0.86 ALDH1A1 (0.49) ALDH1A1DRD3KDM4EHPGDMEN1

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 ALDH1A1 2406/4885DRD3 1450/4885KDM4E 1507/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA ALDH1A1 2601/4885DRD3 1169/4885KDM4E 1345/4885

“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.