SCHEMBL1546820

SCHEMBL1546820

CN1CCC(c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HTR2A P28223 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL1546817 1.00 SMN1; SMN2 (0.52) SMN1; SMN2HTR2AMEN1KMT2ATP53
SCHEMBL5574194 0.88 DRD2 (0.53) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL5574187 0.88 DRD2 (0.53) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL1546302 0.87 HDAC1 (0.48) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL1546305 0.87 HDAC1 (0.48) SMN1; SMN2MEN1KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL1546168 0.87 DRD2 (0.53) SMN1; SMN2MEN1KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL1546164 0.87 DRD2 (0.53) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL1562519 0.85 HTR6 (0.46) SMN1; SMN2HTR2AMEN1KMT2ATP53
SCHEMBL1562521 0.85 HTR6 (0.46) SMN1; SMN2HTR2AMEN1KMT2ATP53
SCHEMBL1546232 0.84 DRD2 (0.62) SMN1; SMN2MEN1KMT2ATP53MAPT

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 SMN1; SMN2 2568/4885HTR2A 161/4885MEN1 2610/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 SMN1; SMN2 2624/4885HTR2A 178/4885MEN1 2369/4885

“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.