SCHEMBL15328211

SCHEMBL15328211

CCSc1cc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 7/20 0.35
GABRA1 P14867 2/20 0.35
HTR1A P08908 1/20 0.35
NUDT1 P36639 1/20 0.35
DRD4 P21917 1/20 0.35
MTOR P42345 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15328401 0.86 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL15733242 0.85 PIK3CD (0.38) GABRA1HTR1ANUDT1MTORRAF1
SCHEMBL2131260 0.83 RAF1 (0.39) GABRA1HTR1ANUDT1DRD4MTOR
SCHEMBL15328482 0.80 PIK3C3 (0.42) PIK3C3MTOR
SCHEMBL15328515 0.80 KMT2A (0.42) PIK3C3GABRA1HTR1ANUDT1DRD4
SCHEMBL2129803 0.78 RAF1 (0.39) GABRA1HTR1ANUDT1MTORRAF1
SCHEMBL30795819 0.78 RAF1 (0.37) PIK3C3GABRA1HTR1ANUDT1MTOR
SCHEMBL2129309 0.78 RAF1 (0.37) PIK3C3GABRA1HTR1ANUDT1MTOR
SCHEMBL2131054 0.77 RAF1 (0.41) GABRA1HTR1ANUDT1DRD4MTOR
SCHEMBL2129768 0.77 RAF1 (0.41) GABRA1HTR1ANUDT1RAF1BRAF

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US claimed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP claimed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO claimed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US claimed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 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-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 PIK3C3 3069/4885GABRA1 181/4885HTR1A 691/4885

“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.