SCHEMBL3609818

SCHEMBL3609818

[c]1cccc([C@H]2CCCN2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
CHRNA7 P36544 3/20 0.54
MEN1 O00255 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL3606732 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2871218 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2096477 0.95 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL1030220 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL1030421 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL1031980 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL21232 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL170704 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL167264 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL16781759 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA7MEN1CYP2D6

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-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN 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
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 400/4885CHRNA4 250/4885CHRNA7 185/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C CHRNB2 409/4885CHRNA4 229/4885CHRNA7 223/4885

“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.