SCHEMBL2821180

SCHEMBL2821180

Cc1nc2ccc(N3CCCC3)cc2c(-c2ccc(F)cc2)c1C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FABP3 P05413 2/20 0.39
FABP4 P15090 2/20 0.39
FABP5 Q01469 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPT P10636 4/20 0.39

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
SCHEMBL2820857 0.99 IDO1 (0.43) IDO1TDO2IDO2DHODHALDH1A1
SCHEMBL2823526 0.99 IDO1 (0.43) IDO1TDO2IDO2DHODHALDH1A1
SCHEMBL2824026 0.92 FABP3 (0.48) DHODHALDH1A1KDM4EMEN1KMT2A
SCHEMBL2822026 0.91 MEN1 (0.53) TDO2IDO2DHODHALDH1A1KDM4E
SCHEMBL2821876 0.91 FABP3 (0.49) DHODHALDH1A1KDM4EMEN1KMT2A
SCHEMBL2821079 0.91 FABP3 (0.49) DHODHALDH1A1KDM4EMEN1KMT2A
SCHEMBL3965874 0.89 FABP3 (0.49) IDO1TDO2IDO2DHODHALDH1A1
SCHEMBL2821886 0.88 PTGS2 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL2821946 0.88 DHODH (0.40) DHODHALDH1A1KDM4EMEN1KMT2A
SCHEMBL2821524 0.88 PTGS2 (0.40) IDO1TDO2IDO2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 US claimed
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 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-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors GABRB1, GABRB2, GABRA1 IDO1 914/4885TDO2 2299/4885IDO2 1349/4885

“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.