SCHEMBL501153

SCHEMBL501153

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRM2 P08172 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
TOP2A P11388 6/20 0.42
TOP2B Q02880 6/20 0.42
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
CYP3A4 P08684 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL9097293 1.00 DPP4 (0.47) DPP4KEAP1NFE2L2CHRM2ALDH1A1
SCHEMBL9014149 1.00 DPP4 (0.47) DPP4KEAP1NFE2L2CHRM2ALDH1A1
SCHEMBL4747719 0.86 TOP2A (0.47) DPP4CHRM2ALDH1A1TOP2ATOP2B
SCHEMBL9283675 0.86 DPP4 (0.44) DPP4CHRM2ALDH1A1POLBCHRM1
SCHEMBL500472 0.86 DPP4 (0.57) DPP4CHRM2ALDH1A1POLBCHRM1
SCHEMBL9233498 0.85 DPP4 (0.35) DPP4KEAP1NFE2L2CHRM2ALDH1A1
SCHEMBL9234525 0.85 DPP4 (0.35) DPP4KEAP1NFE2L2CHRM2ALDH1A1
SCHEMBL13483607 0.84 KMT2A (0.43) ALDH1A1POLBKMT2ALMNA
SCHEMBL27789261 0.83 DPP4 (0.52) DPP4CHRM2ALDH1A1POLBCHRM1
SCHEMBL27344629 0.83 DPP4 (0.48) DPP4KEAP1NFE2L2CHRM2ALDH1A1

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 12 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
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP 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
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO 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 DPP4 496/4885KEAP1 2249/4885NFE2L2 2832/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA DPP4 367/4885KEAP1 1546/4885NFE2L2 2474/4885

“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.