SCHEMBL7228079

SCHEMBL7228079

O=C1c2cc(N3CCN(CCCc4ccccc4)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
OPRM1 P35372 1/20 0.47
MTR Q99707 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HTR7 P34969 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KIF11 P52732 1/20 0.42

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
SCHEMBL7229644 0.88 DRD4 (0.45) SIGMAR1MTRTMEM97HTR1ADRD2
SCHEMBL7229969 0.87 MTR (0.58) SIGMAR1MTRHTR1ADRD2DRD5
SCHEMBL5863589 0.86 CYP2D6 (0.42) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7228684 0.86 MTR (0.44) SIGMAR1MTRTMEM97HTR1ADRD2
SCHEMBL7228784 0.85 MTR (0.66) OPRM1MTRHTR1ADRD2DRD5
SCHEMBL7237431 0.85 MTR (0.66) OPRM1MTRHTR1ADRD2DRD5
SCHEMBL7228616 0.84 KDM4E (0.46) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7230716 0.84 MTR (0.67) OPRM1MTRHTR1ADRD2DRD5
SCHEMBL7230121 0.83 MTR (0.45) SIGMAR1MTRTMEM97HTR1ADRD2
SCHEMBL7238105 0.83 MTR (0.66) OPRM1MTRHTR1ADRD2DRD5

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 328/4885OPRM1 630/4885MTR 1008/4885

“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.