SCHEMBL2824696

SCHEMBL2824696

Cc1nc2ccc(N3CCOCC3)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
BRD4 O60885 2/20 0.43
AKR1C3 P42330 1/20 0.43
CASP3 P42574 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
MELK Q14680 1/20 0.40

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
SCHEMBL2821061 0.91 MAT2A (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2821590 0.89 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2821080 0.81 PRNP (0.56) ALDH1A1RXFP1CASP3
SCHEMBL2824697 0.80 JAK2 (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2821630 0.79 FABP3 (0.49) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2821886 0.77 PTGS2 (0.41) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2821524 0.76 PTGS2 (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2821597 0.76 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL3543586 0.75 TDO2 (0.50) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2823191 0.75 PTGS2 (0.37) MEN1KMT2AKDM4EALDH1A1POLB

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
CN-101068788-A As GABABQuinoline compounds as allosteric enhancers of receptors HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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
CN-101068788-A As GABABQuinoline compounds as allosteric enhancers of receptors HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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 MEN1 2250/4885KMT2A 1319/4885KDM4E 1030/4885

“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.