SCHEMBL949200

SCHEMBL949200

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
KEAP1 Q14145 1/20 0.38
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
SRD5A1 P18405 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDPK1 O15530 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKR1C3 P42330 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
HDAC1 Q13547 2/20 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 0.82 AKR1B1 (0.39) SRD5A1ALDH1A1LMNATSHR
SCHEMBL8483611 0.81 HDAC3 (0.32) SRD5A1ALDH1A1HDAC1HDAC6HDAC3
SCHEMBL8484091 0.81 NOTUM (0.38) NOTUMMCHR1SRD5A1ALDH1A1KDM4E
SCHEMBL8484026 0.81 SRD5A1 (0.50) NOTUMMCHR1SRD5A1ALDH1A1TSHR
SCHEMBL947578 0.80 KDM4E (0.43) NOTUMALDH1A1KDM4ELMNA
SCHEMBL1031296 0.78 NOTUM (0.36) NOTUMHTR2CMCHR1ALDH1A1KDM4E
SCHEMBL346265 0.77 CYP11B1 (0.51) NOTUMKDM4EHSD17B10TDP1
SCHEMBL8484097 0.77 CYP11B1 (0.46) AKR1C3HDAC1HDAC6HDAC8
SCHEMBL5209485 0.77 BCL2L1 (0.44) BCL2L1BAD
SCHEMBL983738 0.76 MAOA (0.49) NOTUMSRD5A1ALDH1A1KDM4ELMNA

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 NOTUM 4037/4885KEAP1 1586/4885HTR2C 12/4885

“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.