SCHEMBL7228804

SCHEMBL7228804

O=C1c2cc(N3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
BCL2A1 Q16548 2/20 0.41
CCR5 P51681 1/20 0.41
CACNA1G O43497 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
OPRM1 P35372 1/20 0.39
HTR1A P08908 1/20 0.39
CCR3 P51677 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL7237830 0.91 MAPT (0.44) SMN1; SMN2SIGMAR1CCR5DRD2DRD4
SCHEMBL7230341 0.88 DRD4 (0.44) SIGMAR1CCR5DRD2DRD4HTR1A
SCHEMBL7230255 0.88 MAPT (0.46) POLBCCR5DRD2DRD4MCHR1
SCHEMBL7230236 0.88 PARP1 (0.46) CCR5OPRM1KDM4EALDH1A1
SCHEMBL7229644 0.88 DRD4 (0.45) SIGMAR1CCR5DRD2DRD4HTR1A
SCHEMBL7238561 0.87 MAPT (0.47) SMN1; SMN2POLBSIGMAR1HTR1AKDM4E
SCHEMBL7238118 0.86 CCR5 (0.48) CCR5DRD4ALDH1A1
SCHEMBL7238624 0.85 CRBN (0.46) SMN1; SMN2POLBDRD2DRD4DRD3
SCHEMBL7228704 0.85 POLB (0.48) POLBNPBWR1MCHR1KDM4E
SCHEMBL7228889 0.84 ALDH1A1 (0.49) SMN1; SMN2SIGMAR1OPRM1KDM4EALDH1A1

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 SMN1; SMN2 2065/4885POLB 2764/4885SIGMAR1 328/4885

“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.