SCHEMBL948083

SCHEMBL948083

COc1ccccc1N1CCN(CCCC#N)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.71
DRD3 P35462 3/20 0.71
HTR1A P08908 5/20 0.69
HTR7 P34969 6/20 0.63
DRD5 P21918 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR2A P28223 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
ALOX12 P18054 1/20 0.60
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL30080790 1.00 DRD2 (0.71) DRD2DRD3HTR1AHTR7DRD5
SCHEMBL6954563 0.96 HTR1A (0.71) DRD2DRD3HTR1AHTR7DRD5
SCHEMBL6246397 0.92 DRD2 (0.69) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL27678005 0.87 DRD2 (0.54) DRD2DRD3HTR1AHTR7DRD5
SCHEMBL6526368 0.87 DRD2 (0.85) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL7054947 0.85 HTR7 (0.53) DRD2DRD3HTR1AHTR7DRD5
SCHEMBL7057457 0.84 DRD3 (0.54) DRD2DRD3HTR1ASLC6A4
SCHEMBL30206503 0.83 DRD2 (0.78) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL1255253 0.83 DRD2 (0.78) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL10414460 0.83 DRD2 (1.00) DRD2DRD3HTR1AHTR7MEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329282-B Phenylpiperazine derivative and preparation method and application thereof 新乡医学院 2022-01-07 CN claimed
CN-117263843-A Dopamine D 2 Receptor-like dual ligand compounds and uses thereof 常州大学 2023-12-22 CN disclosed
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed
CN-108329282-B Phenylpiperazine derivative and preparation method and application thereof 新乡医学院 2022-01-07 CN disclosed
CN-109419802-A Active compound and application thereof is adjusted with dopamine D 3 receptor 中国人民解放军军事医学科学院毒物药物研究所 2019-03-05 CN disclosed
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
CN-101137645-A Arylpiperazine derivatives for the treatment of neuropsychiatric disorders UNIV SIENA (IT) 2008-03-05 CN 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-0779284-B1 Novel 2-naphthamide derivatives and their use in therapy as D3 receptor agonists INST NAT SANTE RECH MED (FR) 2002-07-10 EP disclosed
US-5985895-A 2-naphthamide derivatives and their therapeutic applications INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE-INSERM (FR) 1999-11-16 US disclosed
US-5872119-A 2-Naphthamide derivatives and their therapeutic applications Institut National De La Sante et De La Recherche Medicale--INSERM (FR) 1999-02-16 US disclosed
EP-0779284-A1 Novel 2-naphthamide derivatives and their use in therapy as D3 receptor agonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-06-18 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 1/4885HTR1A 65/4885

“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.