SCHEMBL946571

SCHEMBL946571

O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)C1=Cc2ccccc2CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.62
DRD3 P35462 10/20 0.62
ADRA1A P35348 2/20 0.62
HTR1A P08908 6/20 0.49
HTR2A P28223 6/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 2/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL8475004 0.90 DRD3 (0.62) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8475402 0.90 DRD3 (0.60) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL12946331 0.88 DRD3 (0.64) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8474519 0.88 USP2 (0.50) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL12946337 0.87 DRD3 (0.61) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL12946323 0.87 DRD2 (0.64) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL8475407 0.86 SLC6A4 (0.56) DRD2DRD3ADRA1AHTR2AHTR2C
SCHEMBL3973940 0.85 DRD3 (0.60) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL990005 0.85 DRD3 (0.52) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL12946335 0.85 DRD3 (0.57) DRD2DRD3ADRA1AHTR1AHTR2A

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-7875617-B2 N-[4-(2-methoxyphenyl)piperazin-1-yl)butyl]-3,4-dihydro-6-fluoro-2-naphthamide for treating neuropsychological disorder selected from Parkinson's disease, schizophrenia and depression; partial agonists or antagonists of the dopamine D3 receptor INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-01-25 US disclosed
US-20090124630-A1 3, 4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AS SELECTIVE DOPAMINE D3 LIGANDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-05-14 US disclosed
EP-1841752-B1 3,4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2008-12-10 EP disclosed
EP-1841752-A1 3,4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-10-10 EP disclosed
WO-2006077487-A1 3,4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-07-27 WO disclosed
EP-1683790-A1 3,4-dihydro-2-naphthamide derivatives as selective dopamine D3 ligands INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-07-26 EP disclosed
EP-1683790-A1 3,4-dihydro-2-naphthamide derivatives as selective dopamine D3 ligands INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-07-26 EP 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 (1 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-20090124630-A1 3, 4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AS SELECTIVE DOPAMINE D3 LIGANDS DRD3, SLC6A3, DRD2 DRD2 3/4885DRD3 1/4885ADRA1A 61/4885

“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.