SCHEMBL1546782

SCHEMBL1546782

CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc([C@H](C)CF)cc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
DRD2 P14416 6/20 0.43
DRD3 P35462 4/20 0.43
KCNH2 Q12809 2/20 0.43
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CCR5 P51681 1/20 0.40
TRIM24 O15164 1/20 0.39
SLC2A1 P11166 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL1546905 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1563862 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1562657 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1546689 0.93 DRD2 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1563048 0.93 DRD2 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1546466 0.93 DRD2 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1546449 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL1561507 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL5574905 0.92 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL5574902 0.92 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-06-30 US disclosed
EP-2311802-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-2311803-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-1814849-B1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-04-06 EP disclosed
US-7851463-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-12-14 US disclosed
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-02-21 US disclosed
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 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-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR DRD3, CHRNA3, CHRM3 ALDH1A1 1372/4885LMNA 3343/4885MAPT 3780/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 ALDH1A1 1263/4885LMNA 3510/4885MAPT 3892/4885

“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.