SCHEMBL29203

SCHEMBL29203

FC(F)(F)c1ccc2ccc(N3CCOCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
CNR2 P34972 1/20 0.52
DGAT1 O75907 1/20 0.52
SOAT1 P35610 1/20 0.52
KCNH2 Q12809 1/20 0.52
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 4/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
AR P10275 1/20 0.44
ALOX15 P16050 2/20 0.44
AOC3 Q16853 1/20 0.43

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
SCHEMBL29634 0.86 HRH3 (0.57) HRH3MCHR1ALDH1A1KDM4EGAA
SCHEMBL21154478 0.77 HTR3A (0.68) HRH3CNR2MCHR1ALDH1A1KDM4E
SCHEMBL16431710 0.77 GAA (0.63) ALDH1A1KDM4ELMNAGAAPIK3CD
SCHEMBL31366047 0.77 GAA (0.63) ALDH1A1KDM4ELMNAGAAPIK3CD
SCHEMBL21588490 0.77 SMN1; SMN2 (0.49) ALDH1A1KDM4EGAAPIK3CDPIK3CB
SCHEMBL1013951 0.75 TRPV1 (0.62) DGAT1SOAT1KCNH2MCHR1SMN1; SMN2
SCHEMBL29959269 0.75 MAPT (0.62) DGAT1SOAT1KCNH2ALDH1A1KDM4E
SCHEMBL22186395 0.75 MCHR1 (0.55) HRH3KCNH2MCHR1SYK
SCHEMBL2123816 0.74 KDM4E (0.65) HRH3ALDH1A1KDM4ELMNAGAA
SCHEMBL30023844 0.74 KDM4E (0.65) HRH3ALDH1A1KDM4ELMNAGAA

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
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 US disclosed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 WO disclosed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 US disclosed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO 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-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 HRH3 517/4885CNR2 123/4885DGAT1 2484/4885

“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.