SCHEMBL7228307

SCHEMBL7228307

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CCN1Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
DRD2 P14416 3/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 5/20 0.42
DRD1 P21728 3/20 0.42
CCR5 P51681 1/20 0.40
CCR2 P41597 4/20 0.40
GRM5 P41594 1/20 0.39
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL7228845 0.93 DRD2 (0.47) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7230735 0.92 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7239382 0.92 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7231355 0.91 DRD3 (0.42) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7238192 0.91 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7238667 0.91 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7229724 0.91 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7238401 0.91 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7231230 0.89 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7230154 0.89 CCR2 (0.53) DRD2DRD4DRD3DRD1CCR5

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.