SCHEMBL7229813

SCHEMBL7229813

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CCN1CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MTR Q99707 1/20 0.43
DRD3 P35462 7/20 0.43
DRD1 P21728 3/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
HTR1A P08908 2/20 0.40
KCNA3 P22001 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL7228877 0.99 GRM5 (0.46) GRM5MTRDRD3DRD1DRD2
SCHEMBL7235843 0.99 GRM5 (0.48) GRM5MTRDRD3DRD1DRD2
SCHEMBL7239838 0.99 GRM5 (0.46) GRM5MTRDRD3DRD1DRD2
SCHEMBL7228815 0.97 GRM5 (0.46) GRM5MTRDRD3DRD1DRD2
SCHEMBL7228869 0.91 MTR (0.48) MTRDRD3DRD2HTR1AKCNA3
SCHEMBL7229846 0.90 MTR (0.48) MTRDRD3DRD2HTR1AKCNA3
SCHEMBL7237896 0.90 MTR (0.48) MTRDRD3DRD2HTR1AKCNA3
SCHEMBL7666451 0.90 MTR (0.48) GRM5MTRDRD3DRD2HTR1A
SCHEMBL7229472 0.89 DRD3 (0.50) MTRDRD3DRD1DRD2DRD4
SCHEMBL7228637 0.88 MTR (0.49) MTRDRD3DRD2HTR1AKCNA3

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 GRM5 4054/4885MTR 1008/4885DRD3 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.