SCHEMBL7228947

SCHEMBL7228947

CC(c1ccccc1)(c1ccccc1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCCCC2)C3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
MTR Q99707 1/20 0.39
ACACB O00763 1/20 0.38
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
HTR1A P08908 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
ADRA2C P18825 1/20 0.36
KIF11 P52732 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
NR5A2 O00482 1/20 0.35
NPY1R P25929 1/20 0.35
NPY5R Q15761 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
SCHEMBL7228469 0.90 HRH3 (0.41) HRH3MTRACACBTMEM97SIGMAR1
SCHEMBL7229883 0.79 PDK2 (0.44) HRH3ACACBTMEM97SIGMAR1HTR1A
SCHEMBL7229644 0.79 DRD4 (0.45) HRH3MTRTMEM97SIGMAR1HTR1A
SCHEMBL7237819 0.79 MTR (0.47) HRH3MTRALDH1A1SMN1; SMN2HTR2B
SCHEMBL7230384 0.78 ALDH1A1 (0.50) HRH3ACACBTMEM97SIGMAR1HTR1A
SCHEMBL7231273 0.78 MTR (0.44) HRH3MTRACACBTMEM97SIGMAR1
SCHEMBL7228944 0.78 MTR (0.53) HRH3MTRTMEM97SIGMAR1HTR1A
SCHEMBL5863984 0.77 HTR6 (0.42) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL7237431 0.77 MTR (0.66) HRH3MTRHTR1AKIF11DRD3
SCHEMBL7229534 0.77 PDK2 (0.47) ALDH1A1

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 HRH3 105/4885MTR 1008/4885ACACB 174/4885

“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.