SCHEMBL2821079

SCHEMBL2821079

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccccc2)c1C(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 4/20 0.49
FABP4 P15090 4/20 0.49
FABP5 Q01469 3/20 0.49
PRNP P04156 1/20 0.47
PPARG P37231 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DHODH Q02127 1/20 0.42
TACR1 P25103 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2821876 1.00 FABP3 (0.49) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2824026 0.99 FABP3 (0.48) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2823526 0.92 IDO1 (0.43) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2820857 0.92 IDO1 (0.43) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2821479 0.91 BRD4 (0.49) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL2821180 0.91 IDO1 (0.42) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2822628 0.90 ALDH1A1 (0.54) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL2821524 0.88 PTGS2 (0.40) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2821886 0.87 PTGS2 (0.41) FABP3FABP4FABP5PRNPPPARG
SCHEMBL2821842 0.87 FABP4 (0.47) FABP3FABP4FABP5PRNPPPARG

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-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
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO 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
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO 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 FABP3 2743/4885FABP4 3800/4885FABP5 2247/4885

“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.