SCHEMBL4196140

SCHEMBL4196140

O=C1CCc2ccc(OC3CCN(C(=O)O)CC3)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
ADRA1D P25100 3/20 0.50
SLC6A4 P31645 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
MAOA P21397 12/20 0.47
MAOB P27338 12/20 0.47
CA9 Q16790 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL15532807 0.91 CRBN (0.47) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL4185902 0.85 HRH3 (0.53) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL28778391 0.82 CA9 (0.54) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL29754348 0.82 CA9 (0.54) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL4184334 0.80 CA9 (0.51) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL29594795 0.80 CA9 (0.51) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL4185512 0.79 HTR1A (0.55) DRD2DRD4
SCHEMBL15544884 0.78 MAOA (0.49) MAOAMAOB
SCHEMBL26604815 0.77 MAOB (0.47) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL26604804 0.76 MAOB (0.47) DRD2ADRA1DSLC6A4ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 DRD2 24/4885ADRA1D 191/4885SLC6A4 124/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C DRD2 70/4885ADRA1D 140/4885SLC6A4 104/4885

“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.