SCHEMBL947069

SCHEMBL947069

O=C(NCCCCBr)C1C=Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY5R Q15761 1/20 0.33

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
SCHEMBL11205813 0.71 GAA (0.40) KMT2AMEN1ALDH1A1
SCHEMBL13767766 0.70 NOTUM (0.37) KMT2AMEN1ALDH1A1
SCHEMBL3363708 0.70 IDO1 (0.38) ALDH1A1
SCHEMBL27260845 0.69 PARP1 (0.33)
SCHEMBL12913024 0.66 NAMPT (0.44) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL17729941 0.65 DRD2 (0.54) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1193797 0.63 NAMPT (0.50) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL9861012 0.62 HDAC1 (0.72) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6359841 0.60 PKM (0.53) NAMPTKMT2AMEN1DRD3ALDH1A1
SCHEMBL15233622 0.60 PARP1 (0.36) KMT2AMEN1

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 6 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

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 NAMPT 1568/4885HDAC3 702/4885HDAC4 2141/4885

“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.