Sugi Predict

Sugi Predict / Compounds / SCHEMBL7228944

SCHEMBL7228944

SCHEMBL7228944

O=C1c2cc(N3CCN(CC(c4ccccc4)c4ccccc4)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTR Q99707 1/20 0.53
▸ SCN1A P35498 9/20 0.43
▸ SCN5A Q14524 9/20 0.43
▸ SCN9A Q15858 9/20 0.43
▸ KIF11 P52732 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 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
SCHEMBL7237431 0.91 MTR (0.66) MTRSCN1ASCN5ASCN9AKIF11
SCHEMBL7228784 0.91 MTR (0.66) MTRSCN1ASCN5ASCN9AKIF11
SCHEMBL7230716 0.90 MTR (0.67) MTRSCN1ASCN5ASCN9AHRH3
SCHEMBL7229969 0.89 MTR (0.58) MTRSIGMAR1HTR1A
SCHEMBL7238105 0.89 MTR (0.66) MTRSCN1ASCN5ASCN9AHRH3
SCHEMBL7229978 0.87 MTR (0.68) MTRSCN1ASCN5ASCN9AHTR1A
SCHEMBL7229644 0.85 DRD4 (0.45) MTRKIF11HRH3TMEM97SIGMAR1
SCHEMBL7237819 0.85 MTR (0.47) MTRSCN1ASCN5ASCN9AALDH1A1
SCHEMBL7236138 0.85 MTR (0.60) MTRSCN1ASCN5ASCN9ASIGMAR1
SCHEMBL7230812 0.83 MTR (0.66) MTRSCN1ASCN5ASCN9AHRH3

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 MTR 1008/4885SCN1A 1515/4885SCN5A 977/4885

“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.