SCHEMBL4138762

SCHEMBL4138762

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
SCN9A Q15858 1/20 0.35
METAP1 P53582 2/20 0.34
MAP4K4 O95819 1/20 0.34
FGFR1 P11362 2/20 0.34
MAPK14 Q16539 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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
SCHEMBL4134489 0.85 IDO1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL13881533 0.85 IDO1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4147074 0.85 IDO1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4143703 0.84 FGFR1 (0.39) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL3970595 0.84 IDO1 (0.36) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4131807 0.83 SOS1 (0.38) IDO1TDO2IDO2MAPTFGFR1
SCHEMBL4139178 0.83 APP (0.41) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL13881922 0.83 FGFR1 (0.38) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4071227 0.82 IDO1 (0.40) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL3971049 0.82 FGFR1 (0.41) IDO1TDO2IDO2KDM4EFGFR1

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
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US 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-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 ELOVL1 3526/4885IDO1 996/4885TDO2 2448/4885

“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.