SCHEMBL7230236

SCHEMBL7230236

O=C1c2cc(N3CCN(Cc4ccc(Br)cc4)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
PARP2 Q9UGN5 3/20 0.46
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CCR5 P51681 2/20 0.40
OPRM1 P35372 3/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHKA P35790 1/20 0.37
MTR Q99707 1/20 0.36
WIZ O95785 1/20 0.36
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35

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
SCHEMBL7237830 0.91 MAPT (0.44) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL7230255 0.90 MAPT (0.46) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL7230341 0.90 DRD4 (0.44) PARP1PARP2ALDH1A1MAPTCCR5
SCHEMBL7229644 0.90 DRD4 (0.45) ADRA1DADRA1AADRA1BCCR5MTR
SCHEMBL7228804 0.88 SMN1; SMN2 (0.45) KDM4EALDH1A1CCR5OPRM1
SCHEMBL7238118 0.88 CCR5 (0.48) ADRA1AALDH1A1CCR5CHKAMTR
SCHEMBL7238624 0.87 CRBN (0.46) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL7228704 0.86 POLB (0.48) KDM4EMAPT
SCHEMBL7238561 0.85 MAPT (0.47) KDM4EALDH1A1MAPT
SCHEMBL7229226 0.82 PARP1 (0.50) PARP1PARP2KDM4EALDH1A1

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 PARP1 4077/4885PARP2 4344/4885ADRA1D 452/4885

“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.