SCHEMBL7230896

SCHEMBL7230896

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CCN1Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.44
DRD1 P21728 3/20 0.44
CCR5 P51681 1/20 0.44
DRD2 P14416 4/20 0.42
HTR1A P08908 1/20 0.41
DRD4 P21917 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL7228845 0.92 DRD2 (0.47) DRD3DRD1DRD2HTR1ADRD4
SCHEMBL7238192 0.91 ADRA1D (0.48) DRD3DRD1CCR5DRD2HTR1A
SCHEMBL7231842 0.89 DRD3 (0.44) DRD3DRD1DRD2DRD4ITGB3
SCHEMBL7230829 0.89 DRD3 (0.44) DRD3DRD1CCR5DRD2DRD4
SCHEMBL7228812 0.89 SIGMAR1 (0.47) DRD3DRD1CCR5DRD2HTR1A
SCHEMBL7231355 0.89 DRD3 (0.42) DRD3DRD1DRD2DRD4ITGB3
SCHEMBL7228776 0.89 DRD3 (0.56) DRD3DRD1DRD2HTR1AHRH3
SCHEMBL7228770 0.87 DRD3 (0.57) DRD3DRD1CCR5DRD2HTR1A
SCHEMBL7230735 0.86 DRD2 (0.53) DRD3DRD1DRD2HTR1ADRD4
SCHEMBL7228916 0.86 DRD3 (0.48) DRD3DRD1DRD2HTR1ADRD4

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-6583144-B2 Piperazine substituted isoquinoline, 1,3-benzoxazine, or 1,3-benzothiazine derivatives; inhibitors against the biosynthesis of triglycerides and secretion of apolipoprotein b and treatment of hyperlipidemia MEIJI SEIKA KAISHA, LTD. (JP) 2003-06-24 US disclosed
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same OHKURA NAOTO (JP) 2002-10-24 US disclosed
US-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 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-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same APOB, PNLIP, NR1H2 DRD3 1470/4885DRD1 2545/4885CCR5 1533/4885

“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.