SCHEMBL3049232

SCHEMBL3049232

CCN(c1ccc(CN(C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM2 P08172 1/20 0.43
KDM1A O60341 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
KCNQ4 P56696 3/20 0.39
KCNQ5 Q9NR82 3/20 0.39
RIPK1 Q13546 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
BCL2A1 Q16548 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL3064159 0.88 CHRM1 (0.42) CHRM1CHRM3CHRM2KDM1AHDAC8
SCHEMBL3063855 0.86 RIPK1 (0.43) CHRM1CHRM3CHRM2LTB4R2RIPK1
SCHEMBL3822517 0.86 LTB4R2 (0.46) CHRM1CHRM3CHRM2LTB4R2BCL2A1
SCHEMBL3823174 0.84 AAK1 (0.38) CHRM1CHRM3CHRM2KDM1AHDAC8
SCHEMBL3058780 0.81 CHRM1 (0.44) CHRM1CHRM3CHRM2KDM1AHDAC8
SCHEMBL18721166 0.81 KCNQ4 (0.43) CHRM1CHRM3CHRM2KDM1AHDAC8
SCHEMBL3063916 0.81 KCNQ4 (0.43) CHRM1CHRM3CHRM2KDM1AHDAC8
SCHEMBL18721167 0.77 NR1D1 (0.47)
SCHEMBL3065942 0.76 CACNA1H (0.46) HDAC8HDAC6LTB4R2KCNQ4KCNQ5
SCHEMBL27527605 0.75 TACR1 (0.40) KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 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 CHRM1 215/4885CHRM3 217/4885CHRM2 223/4885

“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.