SCHEMBL3048291

SCHEMBL3048291

CNC1CCN(c2ccc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MELK Q14680 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
PRKAA2 P54646 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8169903 0.91 CA12 (0.41) KCNH2MCHR1CA12CA1CA2
SCHEMBL3058884 0.89 TRPV1 (0.44) CA12CA1CA2CA4CA7
SCHEMBL8162530 0.89 TRPV1 (0.44) CA12CA1CA2CA4CA7
SCHEMBL3057691 0.85 AAK1 (0.39) KCNH2MCHR1CA12CA1CA2
SCHEMBL3063912 0.84 CACNA1H (0.46) KDM4EALDH1A1TSHR
SCHEMBL3824490 0.84 MCHR1 (0.47) KCNH2MCHR1CA12CA1CA2
SCHEMBL3064722 0.83 AOC3 (0.45) KDM4EALDH1A1TSHR
SCHEMBL3068398 0.83 HRH3 (0.44) HRH3TDP1KDM4EALDH1A1
SCHEMBL3053852 0.82 ME2 (0.43) KDM4EALDH1A1TSHR
SCHEMBL3064704 0.82 AOC3 (0.47) KDM4EALDH1A1

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 claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
WO-2008073929-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 KCNH2 32/4885MCHR1 1939/4885CA12 1624/4885

“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.