SCHEMBL4206124

SCHEMBL4206124

CCC(=O)N1CCC(c2cc(N)ccc2OC)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.48
BTK Q06187 2/20 0.47
PIK3CD O00329 3/20 0.45
PIK3CA P42336 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CG P48736 2/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL4204334 0.83 MEN1 (0.62) MEN1KMT2A
SCHEMBL4192847 0.82 MAPK1 (0.47) PDE4BBTKKMT2A
SCHEMBL4771915 0.81 MEN1 (0.52) PDE4BMEN1KMT2A
SCHEMBL8535241 0.80 PDE4B (0.50) PDE4BMEN1KMT2A
SCHEMBL22062947 0.78 ADAM17 (0.62) MEN1KMT2A
SCHEMBL6815771 0.77 MEN1 (0.45) PDE4BMEN1KMT2A
SCHEMBL7880812 0.77 HTR2A (0.47)
SCHEMBL5515302 0.76 PDE4B (0.53) PDE4BMEN1KMT2A
SCHEMBL6644520 0.75 MAPK1 (0.49) PDE4BBTKMEN1KMT2A
SCHEMBL6714974 0.75 ABCB1 (0.47) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A PDE4B 1458/4885BTK 2287/4885PIK3CD 3779/4885

“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.