SCHEMBL7236002

SCHEMBL7236002

O=C1c2cc(N3CCN(CCC(c4ccc(Cl)cc4)c4ccc(Cl)cc4)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.54
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD5 P21918 1/20 0.42
HTR1A P08908 4/20 0.41
DRD4 P21917 5/20 0.41
SIGMAR1 Q99720 4/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
DRD1 P21728 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
SCHEMBL7228784 0.91 MTR (0.66) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7237431 0.91 MTR (0.66) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7230716 0.90 MTR (0.67) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7238105 0.89 MTR (0.66) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7228544 0.88 MTR (0.52) MTRDRD2DRD3HTR1ADRD4
SCHEMBL7229978 0.87 MTR (0.68) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7229969 0.86 MTR (0.58) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7237830 0.85 MAPT (0.44) DRD2DRD3DRD5HTR1ADRD4
SCHEMBL7230812 0.83 MTR (0.66) MTRDRD2DRD3DRD5HTR1A
SCHEMBL7230049 0.83 MTR (0.62) MTRDRD2DRD3DRD5HTR1A

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 MTR 1008/4885DRD2 2463/4885DRD3 1470/4885

“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.