SCHEMBL4192775

SCHEMBL4192775

CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(F)c(-c4cnco4)c3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GHSR Q92847 1/20 0.38
TRIM24 O15164 1/20 0.36
DRD3 P35462 4/20 0.36
DRD2 P14416 4/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 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
SCHEMBL4192778 1.00 HRH3 (0.41) HRH3CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL1546425 0.86 KMT2A (0.53) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL1546423 0.86 KMT2A (0.53) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL4201243 0.83 HRH3 (0.41) HRH3DRD3DRD2DRD1DRD4
SCHEMBL4201240 0.83 HRH3 (0.41) HRH3DRD3DRD2DRD1DRD4
SCHEMBL5571594 0.83 HRH3 (0.56) HRH3KMT2ADRD3DRD2DRD1
SCHEMBL5571596 0.83 HRH3 (0.56) HRH3KMT2ADRD3DRD2DRD1
Hydrochloric Acid SCHEMBL1546796 0.82 HRH3 (0.55) HRH3KMT2ADRD3DRD2DRD1
Hydrochloric Acid SCHEMBL1546792 0.82 HRH3 (0.55) HRH3KMT2ADRD3DRD2DRD1
SCHEMBL4199327 0.80 CYP3A4 (0.47) HRH3CYP3A4CYP2D6PSEN1PSEN2

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 HRH3 129/4885CYP3A4 665/4885CYP2D6 49/4885

“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.