SCHEMBL7229121

SCHEMBL7229121

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2C(Cl)CN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
CCR2 P41597 4/20 0.41
HTR1A P08908 1/20 0.41
MTR Q99707 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL7230200 0.89 SIGMAR1 (0.42) SIGMAR1CCR2HTR1AMTRADRA1D
SCHEMBL7229590 0.84 DRD3 (0.48) SIGMAR1CCR2HTR1AMTRADRA1D
SCHEMBL7228845 0.83 DRD2 (0.47) SIGMAR1CCR2HTR1AMTRADRA1D
SCHEMBL7235824 0.80 CCR2 (0.40) SIGMAR1CCR2HTR1AADRA1DADRA1A
SCHEMBL7228812 0.79 SIGMAR1 (0.47) SIGMAR1HTR1ASLC6A2SLC6A4DRD2
SCHEMBL7228633 0.78 DRD2 (0.54) SIGMAR1HTR1AMTRADRA1DADRA1A
SCHEMBL7228287 0.78 DRD3 (0.43) HTR1AMTRDRD2DRD3CCR5
SCHEMBL7235739 0.78 ADRA1D (0.48) CCR2HTR1AMTRADRA1DADRA1A
SCHEMBL7239382 0.78 ADRA1D (0.48) CCR2HTR1AMTRADRA1DADRA1A
SCHEMBL7228182 0.78 DRD3 (0.44) CCR2HTR1AMTRADRA1DADRA1A

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 SIGMAR1 328/4885CCR2 433/4885HTR1A 2168/4885

“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.