SCHEMBL7239382

SCHEMBL7239382

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CN1Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
DRD5 P21918 3/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 1/20 0.44
MTR Q99707 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CCR5 P51681 1/20 0.41
CCR2 P41597 4/20 0.40
ACACB O00763 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7229590 0.93 DRD3 (0.48) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7228307 0.92 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7228633 0.91 DRD2 (0.54) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7237930 0.91 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7235739 0.91 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7228182 0.91 DRD3 (0.44) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7235818 0.88 HTR1A (0.51) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7240409 0.87 DRD3 (0.44) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL7229387 0.87 POLB (0.44) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7229377 0.86 MTR (0.45) ADRA1DADRA1AADRA1BDRD3DRD2

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 ADRA1D 452/4885ADRA1A 613/4885ADRA1B 303/4885

“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.