SCHEMBL3605879

SCHEMBL3605879

CN1CCCC1c1c[c]ccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.66
CHRNA7 P36544 4/20 0.66
CHRNA4 P43681 4/20 0.66
CHRNB4 P30926 3/20 0.66
CHRNA3 P32297 3/20 0.66
ALDH1A1 P00352 2/20 0.55
CHRNA2 Q15822 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR3E A5X5Y0 1/20 0.55
PSIP1 O75475 1/20 0.55
TRPA1 O75762 1/20 0.55
HTR3B O95264 1/20 0.55
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
MAPT P10636 1/20 0.55
CHRNB1 P11230 1/20 0.55
CYP2A6 P11509 1/20 0.55
PTGS1 P23219 1/20 0.55
CHRNA5 P30532 1/20 0.55

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
SCHEMBL3610436 1.00 CHRNB2 (0.66) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL3611994 1.00 CHRNB2 (0.66) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1032365 0.80 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1032215 0.80 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1032195 0.80 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL15836592 0.80 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL155935 0.80 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL13238778 0.80 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL8616384 0.79 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL16130558 0.74 CHRNB2 (0.89) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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 10 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-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 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-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
CN-101421234-A Is suitable for treating p-hydroxytryptamine 5HT6Heterocyclic aryl sulfones of receptor-modulated responsive disorders ABBOTT GMBH (DE) 2009-04-29 CN disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN 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-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO 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 (2 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 CHRNB2 400/4885CHRNA7 185/4885CHRNA4 250/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C CHRNB2 409/4885CHRNA7 223/4885CHRNA4 229/4885

“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.