SCHEMBL1546893

SCHEMBL1546893

Nc1ccc(C2CCN(Cc3ccccc3)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
ACHE P22303 4/20 0.48
BCHE P06276 4/20 0.48
BACE1 P56817 3/20 0.48
HTR6 P50406 1/20 0.46
DRD2 P14416 5/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 5/20 0.46
HRH3 Q9Y5N1 1/20 0.45
RET P07949 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13490551 0.93 DRD2 (0.52) ACHEBCHEBACE1DRD2DRD4
SCHEMBL2636322 0.85 BCHE (0.53) USP30ACHEBCHEBACE1HTR6
SCHEMBL1991488 0.84 DRD4 (0.48) ACHEDRD4SIGMAR1
SCHEMBL29538189 0.84 DRD4 (0.48) ACHEDRD4SIGMAR1
SCHEMBL14516516 0.81 BCHE (0.55) USP30ACHEBCHEBACE1DRD2
SCHEMBL12337320 0.81 BCHE (0.55) USP30ACHEBCHEBACE1DRD2
SCHEMBL8844465 0.80 PDCD1LG2 (0.52) USP30ACHEBCHEBACE1DRD2
SCHEMBL14868702 0.80 PDCD1LG2 (0.52) USP30ACHEBCHEBACE1DRD2
SCHEMBL13490598 0.79 CYP2D6 (0.51) ACHEBCHEBACE1DRD2DRD4
SCHEMBL1546358 0.79 MAPT (0.58) ACHEBCHEBACE1SIGMAR1ALDH1A1

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
CN-101039904-B Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG 2014-09-24 CN disclosed
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 USP30 4395/4885ACHE 1974/4885BCHE 2783/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 USP30 4329/4885ACHE 2179/4885BCHE 3088/4885

“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.