SCHEMBL7228684

SCHEMBL7228684

O=C1c2cc(N3CCN(CCN(Cc4ccccc4)Cc4ccccc4)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.44
KIF11 P52732 3/20 0.40
TMEM97 Q5BJF2 8/20 0.39
SIGMAR1 Q99720 6/20 0.39
HTR1A P08908 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
HRH1 P35367 3/20 0.39
HRH2 P25021 2/20 0.39
ADRA2C P18825 1/20 0.39
MCHR1 Q99705 1/20 0.38
DRD3 P35462 4/20 0.38
CHRM5 P08912 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA1D P25100 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
ADRA1A P35348 2/20 0.38
HTR2B P41595 2/20 0.38
CHRM4 P08173 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
SCHEMBL7230121 0.87 MTR (0.45) MTRKIF11TMEM97SIGMAR1HTR1A
SCHEMBL7228079 0.86 SIGMAR1 (0.51) MTRKIF11TMEM97SIGMAR1HTR1A
SCHEMBL7229644 0.85 DRD4 (0.45) MTRKIF11TMEM97SIGMAR1HTR1A
SCHEMBL7237431 0.83 MTR (0.66) MTRKIF11HTR1AHRH3DRD3
SCHEMBL7228784 0.83 MTR (0.66) MTRKIF11HTR1AHRH3DRD3
SCHEMBL7230716 0.82 MTR (0.67) MTRHTR1AHRH3DRD3HTR2B
SCHEMBL7228323 0.81 HRH3 (0.44) MTRKIF11TMEM97SIGMAR1HTR1A
SCHEMBL7229969 0.81 MTR (0.58) MTRSIGMAR1HTR1ADRD3DRD5
SCHEMBL7238105 0.81 MTR (0.66) MTRHTR1AHRH3DRD3HTR2B
SCHEMBL7228322 0.81 MTR (0.39) MTRKIF11TMEM97SIGMAR1HTR1A

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 1008/4885KIF11 4795/4885TMEM97 1415/4885

“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.