SCHEMBL1546476

SCHEMBL1546476

CC(C)(C)OC(=O)N1CC(c2ccc([N+](=O)[O-])cc2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
PDE5A O76074 1/20 0.42
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
TACR1 P25103 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL30912469 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPDE5AMEN1
SCHEMBL1546436 0.78 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPDE5ARORC
SCHEMBL520671 0.78 ALDH1A1 (0.55) ALDH1A1MAPTLMNAPDE5ASMN1; SMN2
SCHEMBL25279026 0.78 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPDE5AMEN1
SCHEMBL520670 0.77 ALDH1A1 (0.60) ALDH1A1MAPTLMNAPDE5ASMN1; SMN2
SCHEMBL520909 0.76 ALDH1A1 (0.56) ALDH1A1MAPTLMNARORCTACR1
SCHEMBL1150225 0.76 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL30165834 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPDE5ASMN1; SMN2
SCHEMBL27175847 0.75 ALDH1A1 (0.55) ALDH1A1MAPTLMNARORCTACR1
SCHEMBL7670172 0.75 ALDH1A1 (0.58) ALDH1A1MAPTLMNAPDE5ARORC

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 1372/4885MAPT 3780/4885LMNA 3343/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 ALDH1A1 1263/4885MAPT 3892/4885LMNA 3510/4885

“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.