SCHEMBL5864003

SCHEMBL5864003

CCOC(=O)C1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCCCC3)C4)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
TMEM97 Q5BJF2 11/20 0.40
SIGMAR1 Q99720 10/20 0.40
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
SLC6A2 P23975 2/20 0.40
CHRM1 P11229 1/20 0.40
PDK2 Q15119 2/20 0.40
MTR Q99707 1/20 0.39
HTR1A P08908 3/20 0.38
CHRM5 P08912 2/20 0.38
ADRA1D P25100 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRA2C P18825 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
SCHEMBL5863646 0.95 HTR7 (0.40) ACACBTMEM97SIGMAR1HRH2HRH1
SCHEMBL5864168 0.88 MTR (0.44) ACACBTMEM97SIGMAR1HRH2HRH1
SCHEMBL5863333 0.83 HTR1A (0.44) TMEM97SIGMAR1HRH2HRH1HRH3
SCHEMBL5863460 0.83 MTR (0.38) ACACBSLC6A2CHRM1MTRHTR1A
SCHEMBL5863948 0.82 DRD3 (0.41) MTRHTR1ADRD3
SCHEMBL5863363 0.82 MTTP (0.43) SLC6A2CHRM1PDK2MTRSLC6A3
SCHEMBL5863670 0.82 HTR7 (0.39) SLC6A2CHRM1MTRHTR1ASLC6A3
SCHEMBL7229396 0.81 MAPT (0.50) ACACBTMEM97SIGMAR1HRH2HRH1
SCHEMBL5863981 0.80 MTR (0.42) TMEM97SIGMAR1HRH2HRH1HRH3
SCHEMBL5863524 0.78 DRD3 (0.40) TMEM97SIGMAR1HRH2HRH1HRH3

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-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ACACB 35/4885TMEM97 559/4885SIGMAR1 202/4885

“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.