SCHEMBL3053871

SCHEMBL3053871

CCN(c1ccc(CN(C(=O)[C@@H]2CCCN2)c2ccc(OC)cc2)cc1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
BCL2A1 Q16548 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
C5AR1 P21730 2/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
GPR183 P32249 1/20 0.39
ADGRF1 Q5T601 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
TSPO P30536 1/20 0.38
RNF4 P78317 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
SCHEMBL3819010 0.80 RNF4 (0.47) CNR2CNR1DRD2DRD3BCL2A1
SCHEMBL3058445 0.78 SCN4A (0.38) CNR2CNR1NR1H4CHRM2CHRM1
SCHEMBL3819221 0.77 CHRM2 (0.44) CNR2CNR1DRD2DRD3BCL2A1
SCHEMBL8170417 0.76 CNR2 (0.55) CNR2CNR1
SCHEMBL15173714 0.74 SMN1; SMN2 (0.49)
SCHEMBL27594337 0.73 CNR1 (0.41) CNR2CNR1DRD2DRD3
SCHEMBL3824522 0.73 CHRM1 (0.47) CNR2CNR1DRD2DRD3CHRM2
SCHEMBL3819014 0.72 CNR2 (0.46) CNR2CNR1DRD2DRD3
SCHEMBL4735333 0.72 ALDH1A1 (0.48) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL4736992 0.72 MEN1 (0.43) DRD2DRD3BCL2A1CHRM2CHRM1

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 6 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

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 CNR2 262/4885CNR1 221/4885DRD2 1271/4885

“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.