SCHEMBL500376

SCHEMBL500376

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2cc(N3C[C@@H](CNC4CC4)[C@H](F)C3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
CYP2C9 P11712 1/20 0.49
TOP2B Q02880 1/20 0.49
TOP1 P11387 3/20 0.44
PIK3CG P48736 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
DRD3 P35462 1/20 0.42
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL500375 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500757 0.92 KDM4E (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500758 0.92 KDM4E (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500471 0.86 DRD3 (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500552 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500470 0.86 DRD3 (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500553 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL502106 0.86 DRD3 (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL500700 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL499945 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDLMNAHSD17B10

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 2406/4885KDM4E 1507/4885HPGD 1391/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA ALDH1A1 2601/4885KDM4E 1345/4885HPGD 1358/4885

“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.