SCHEMBL500579

SCHEMBL500579

CC1CN(Cc2ccccc2)CC1CNCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.55
HTR2C P28335 1/20 0.48
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
BACE1 P56817 3/20 0.44
GBA1 P04062 1/20 0.44
FUCA1 P04066 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 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
SCHEMBL500743 1.00 CXCR4 (0.55) CXCR4HTR2CDRD2DRD4DRD3
SCHEMBL500580 1.00 CXCR4 (0.55) CXCR4HTR2CDRD2DRD4DRD3
SCHEMBL500614 1.00 CXCR4 (0.55) CXCR4HTR2CDRD2DRD4DRD3
SCHEMBL500578 1.00 CXCR4 (0.55) CXCR4HTR2CDRD2DRD4DRD3
SCHEMBL19006047 0.87 DRD2 (0.45) CXCR4DRD2DRD4DRD3ACHE
SCHEMBL500173 0.82 CXCR4 (0.55) CXCR4HTR2CACHEBCHEBACE1
SCHEMBL13177333 0.82 ACHE (0.46) DRD2DRD4DRD3ACHEBACE1
SCHEMBL15063080 0.81 ACHE (0.49) HTR2CDRD2DRD4DRD3ACHE
SCHEMBL500512 0.81 ACHE (0.49) HTR2CDRD2DRD4DRD3ACHE
SCHEMBL20463841 0.80 FUCA1 (0.50) DRD2DRD4DRD3ACHEGBA1

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 10 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
EP-1486500-B1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIA KYORIN SEIYAKU KK (JP) 2009-09-16 EP 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-7153851-B2 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 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
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1486500-A1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIUM Kyorin Pharmaceutical Co., Ltd. (JP) 2004-12-15 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 (3 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 CXCR4 794/4885HTR2C 1083/4885DRD2 1544/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA CXCR4 914/4885HTR2C 450/4885DRD2 1083/4885
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium RRP15, RRP12, RRS1 CXCR4 2099/4885HTR2C 638/4885DRD2 1145/4885

“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.