SCHEMBL2825422

SCHEMBL2825422

Nc1ccc(OC(F)(F)F)cc1C(=O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
ALOX15 P16050 1/20 0.45
P2RX1 P51575 1/20 0.44
PARP1 P09874 1/20 0.43
LIPE Q05469 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
LTC4S Q16873 1/20 0.42
MGLL Q99685 1/20 0.41
RECQL P46063 1/20 0.40
CCR6 P51684 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCR2 P41597 1/20 0.40
FADS1 O60427 1/20 0.40
DDR1 Q08345 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
SCHEMBL2823944 0.89 MAPT (0.46) LMNAMAPTTSHRMAPK1HTT
SCHEMBL2826414 0.86 POLB (0.48) P2RX1LMNAMAPTTSHRMAPK1
SCHEMBL2824553 0.85 MAPT (0.57) LMNAMAPTTSHRMAPK1HTT
SCHEMBL2822598 0.84 ALDH1A1 (0.47) TRPV1ALOX15MAPTHTT
SCHEMBL19857760 0.84 CCR9 (0.49) TRPV1P2RX1LMNAMAPTTSHR
SCHEMBL2828934 0.83 IGF2BP2 (0.42) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL6341269 0.80 RECQL (0.60) ALOX15PARP1MAPTRECQLFADS1
SCHEMBL2843778 0.80 BRAF (0.47) LMNAMAPTTSHRMAPK1HTT
SCHEMBL2825433 0.78 MAPT (0.50) LMNAMAPTTSHRMAPK1HTT
SCHEMBL3559185 0.76 RAB9A (0.57) ALOX15LMNAMAPTMAPK1HTT

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 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 TRPV1 556/4885ALOX15 4238/4885P2RX1 126/4885

“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.