SCHEMBL1031296

SCHEMBL1031296

COOC(=O)C1=Cc2ccc(F)cc2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HTR2C P28335 1/20 0.32
MCHR1 Q99705 1/20 0.32
MAPK14 Q16539 1/20 0.32
PIN1 Q13526 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL947578 0.88 KDM4E (0.43) NOTUMKDM4EALDH1A1LMNACA12
SCHEMBL949200 0.78 NOTUM (0.38) NOTUMKDM4ETSHRALDH1A1LMNA
SCHEMBL5694225 0.73 CA12 (0.44) ALDH1A1LMNACA12CA9PDK2
SCHEMBL21474553 0.72 TSHR (0.43) KDM4ETSHRALDH1A1LMNACA12
SCHEMBL24482978 0.72 CA12 (0.54) CA12CA9MCHR1SLC6A4SLC6A3
SCHEMBL12913025 0.72 CA12 (0.40) CA12CA9HDAC3HDAC4HDAC1
SCHEMBL5694167 0.72 CA12 (0.54) NOTUMKDM4ECA12CA9GAA
SCHEMBL13979393 0.72 GAA (0.44) KDM4EALDH1A1CA12CA9HDAC3
SCHEMBL11462313 0.70 NAMPT (0.36) NOTUMKDM4ETSHRLMNAHTT
SCHEMBL8494577 0.69 NAMPT (0.44) CA12CA9HDAC1HDAC8HDAC6

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 4 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-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 NOTUM 4037/4885KDM4E 3894/4885TSHR 240/4885

“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.