SCHEMBL4192756

SCHEMBL4192756

CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(N4CCOCC4)c3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
TGFBR1 P36897 1/20 0.46
DRD2 P14416 4/20 0.46
USP2 O75604 1/20 0.46
DRD3 P35462 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 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
SCHEMBL4192760 1.00 KMT2A (0.48) KMT2AALDH1A1MEN1MAPTTGFBR1
SCHEMBL4190597 0.92 DRD2 (0.49) TGFBR1DRD2DRD3SIGMAR1LMNA
SCHEMBL4190601 0.92 DRD2 (0.49) TGFBR1DRD2DRD3SIGMAR1LMNA
SCHEMBL5571549 0.89 MAPT (0.58) KMT2AALDH1A1MEN1MAPTUSP2
SCHEMBL5571546 0.89 MAPT (0.58) KMT2AALDH1A1MEN1MAPTUSP2
Hydrochloric Acid SCHEMBL1546333 0.89 MAPT (0.57) KMT2AALDH1A1MEN1MAPTUSP2
Hydrochloric Acid SCHEMBL1546329 0.89 MAPT (0.57) KMT2AALDH1A1MEN1MAPTUSP2
SCHEMBL4189243 0.83 DRD2 (0.48) DRD2DRD3SIGMAR1
SCHEMBL4189238 0.83 DRD2 (0.48) DRD2DRD3SIGMAR1
SCHEMBL4198378 0.82 DRD2 (0.53) DRD2DRD3SIGMAR1

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 KMT2A 1530/4885ALDH1A1 527/4885MEN1 1566/4885

“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.