SCHEMBL8484091

SCHEMBL8484091

Cc1ccc2c(c1)CCC(C(=O)O)=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRD5A1 P18405 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PIN1 Q13526 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
PTGS2 P35354 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
SCHEMBL5694268 0.81 AKR1B1 (0.39) CA12CA9ALDH1A1SRD5A1PTGS2
SCHEMBL949200 0.81 NOTUM (0.38) NOTUMALDH1A1SRD5A1HDAC3HDAC4
SCHEMBL8483611 0.79 HDAC3 (0.32) ALDH1A1SRD5A1HDAC3HDAC4HDAC1
SCHEMBL8484026 0.79 SRD5A1 (0.50) NOTUMCA12CA9ALDH1A1SMN1; SMN2
SCHEMBL346265 0.79 CYP11B1 (0.51) NOTUMCA12CA9SMN1; SMN2KDM4E
SCHEMBL7755475 0.79 TBXAS1 (0.33) NOTUMSRD5A1
SCHEMBL5205124 0.78 CCR5 (0.51)
SCHEMBL6953646 0.76 MCHR1 (0.45) NOTUMALDH1A1SMN1; SMN2MCHR1KDM4E
SCHEMBL8484097 0.76 CYP11B1 (0.46) HDAC1HDAC8HDAC6PIN1PTGS2
SCHEMBL11472696 0.74 NOTUM (0.35) NOTUMCSNK2A1SRD5A1MCHR1KDM4E

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 4037/4885CSNK2A1 1983/4885CA12 4728/4885

“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.