SCHEMBL5864027

SCHEMBL5864027

CCNC(=O)C1(CCCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCCCC3)C4)CC2)c2ccccc2Sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.37
DRD2 P14416 3/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
HTR1A P08908 2/20 0.35
ACACB O00763 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
SCHEMBL5864441 0.98 HTR7 (0.35) HTR7DRD2DRD4DRD5DRD3
SCHEMBL5864084 0.94 DRD3 (0.37) HTR7DRD2DRD4DRD3HTR1A
SCHEMBL5863670 0.93 HTR7 (0.39) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL5863168 0.91 DRD3 (0.36) HTR7DRD2DRD4DRD3HTR1A
SCHEMBL5864083 0.91 MTTP (0.43) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL5863460 0.90 MTR (0.38) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL5863856 0.90 HTR7 (0.37) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL5864035 0.89 DRD3 (0.40) DRD2DRD5DRD3HTR1A
SCHEMBL5864008 0.88 HTR7 (0.35) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL5863839 0.86 DRD3 (0.40) HTR7DRD2DRD3

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 HTR7 1820/4885DRD2 625/4885DRD4 599/4885

“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.