SCHEMBL3060027

SCHEMBL3060027

CCN(CC)c1ccc(C(=O)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.39
HCAR3 P49019 1/20 0.38
KMT2A Q03164 3/20 0.36
AOC3 Q16853 1/20 0.35
RXRA P19793 1/20 0.35
GBA1 P04062 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CXCR2 P25025 3/20 0.34
CXCR1 P25024 1/20 0.34
MLNR O43193 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 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
SCHEMBL4733703 0.84 HCAR3 (0.46) CACNA1HHCAR3KMT2AAOC3RXRA
SCHEMBL3047803 0.82 KCNQ3 (0.43) KMT2AMAPTGAARAB9AMEN1
SCHEMBL3058971 0.78 GRIN1 (0.35) KMT2AMAPTGAARAB9AMEN1
SCHEMBL3065942 0.78 CACNA1H (0.46) CACNA1HAOC3GBA1HDAC1HDAC8
SCHEMBL3823160 0.77 HCAR3 (0.41) CACNA1HHCAR3KMT2AAOC3RXRA
SCHEMBL5430899 0.73 HCAR3 (0.54) HCAR3KMT2AAOC3GBA1MAPT
SCHEMBL465766 0.70 SYK (0.47) HCAR3KMT2AMAPTGAARAB9A
SCHEMBL16753451 0.69 MLYCD (0.41) HCAR3KDM4EGPR119
SCHEMBL3049317 0.69 KMT2A (0.60) KMT2ARAB9AMEN1ALDH1A1LMNA
SCHEMBL6215915 0.69 KCNQ4 (0.37) KMT2AMEN1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP disclosed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S CACNA1H 13/4885HCAR3 233/4885KMT2A 2712/4885

“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.