SCHEMBL29634

SCHEMBL29634

FC(F)(F)c1ccc2ccc(N3CCCC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
MCHR1 Q99705 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CASP1 P29466 2/20 0.46
CASP5 P51878 2/20 0.46
CASP4 P49662 1/20 0.46
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
KDM4E B2RXH2 4/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
TERT O14746 1/20 0.41
ADRB1 P08588 2/20 0.41
ACHE P22303 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
SCHEMBL29203 0.86 HRH3 (0.53) HRH3MCHR1CASP1KDM4EHPGD
SCHEMBL30771674 0.80 HRH3 (0.56) HRH3MCHR1CASP1CASP5CASP4
SCHEMBL22186395 0.79 MCHR1 (0.55) HRH3MCHR1IDH2
Hydrochloric Acid SCHEMBL28610076 0.78 MCHR1 (0.54) HRH3MCHR1IDH2
Hydrochloric Acid SCHEMBL28610078 0.78 MCHR1 (0.54) HRH3MCHR1IDH2
SCHEMBL17005644 0.78 HRH3 (0.48) HRH3HTR3AHTR1ASLC6A4
SCHEMBL15707911 0.76 HRH3 (0.66) HRH3HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL15708218 0.75 HRH3 (0.64) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL23273977 0.75 PIM1 (0.48) HRH3MEN1KMT2ACASP1HTR3E
SCHEMBL10568995 0.75 HRH3 (0.48) HRH3MEN1KMT2AHTR3EHTR3B

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 517/4885MCHR1 3706/4885MEN1 3102/4885

“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.