SCHEMBL500512

SCHEMBL500512

C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.49
BACE1 P56817 8/20 0.49
BCHE P06276 5/20 0.49
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 4/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GBA1 P04062 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
SCHEMBL15063080 1.00 ACHE (0.49) ACHEBACE1BCHEDRD2DRD4
SCHEMBL500580 0.81 CXCR4 (0.55) ACHEBACE1BCHEDRD2DRD4
SCHEMBL500614 0.81 CXCR4 (0.55) ACHEBACE1BCHEDRD2DRD4
SCHEMBL13177333 0.81 ACHE (0.46) ACHEBACE1DRD2DRD4DRD3
SCHEMBL500743 0.81 CXCR4 (0.55) ACHEBACE1BCHEDRD2DRD4
SCHEMBL500578 0.81 CXCR4 (0.55) ACHEBACE1BCHEDRD2DRD4
SCHEMBL500579 0.81 CXCR4 (0.55) ACHEBACE1BCHEDRD2DRD4
SCHEMBL19006047 0.80 DRD2 (0.45) ACHEDRD2DRD4DRD3SIGMAR1
SCHEMBL12616527 0.79 FUCA1 (0.50) ACHEDRD2DRD4DRD3SIGMAR1
SCHEMBL14302242 0.79 RORC (0.56) ACHESIGMAR1GBA1

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 ACHE 4716/4885BACE1 3777/4885BCHE 4288/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA ACHE 4809/4885BACE1 4086/4885BCHE 4510/4885
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium RRP15, RRP12, RRS1 ACHE 4773/4885BACE1 4516/4885BCHE 3760/4885

“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.