SCHEMBL4504099

SCHEMBL4504099

CN1CCN(C[C@@H](F)CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.35
SLC6A2 P23975 5/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4492236 1.00 GAA (0.42) GAAKDM4EGLAKMT2ALMNA
SCHEMBL4495851 1.00 GAA (0.42) GAAKDM4EGLAKMT2ALMNA
SCHEMBL4495849 0.78 GAA (0.38) GAAKDM4EGLAKMT2ALMNA
SCHEMBL4504097 0.78 GAA (0.38) GAAKDM4EGLAKMT2ALMNA
SCHEMBL16848669 0.77 GAA (0.44) GAAKDM4EGLAKMT2ALMNA
SCHEMBL24594074 0.77 GAA (0.48) GAAKDM4EGLAKMT2ALMNA
SCHEMBL4498818 0.77 KDM4E (0.42) GAAKDM4EGLAKMT2ALMNA
SCHEMBL4498815 0.77 KDM4E (0.42) GAAKDM4EGLAKMT2ALMNA
SCHEMBL4498822 0.77 KDM4E (0.42) GAAKDM4EGLAKMT2ALMNA
SCHEMBL10273152 0.77 GAA (0.42) GAAKDM4EGLAKMT2ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 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 (1 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 GAA 1234/4885KDM4E 1156/4885GLA 3793/4885

“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.