SCHEMBL5863565

SCHEMBL5863565

COc1cccc(CN2Cc3ccc(N4CCN(CCCC5(C(=O)NCC(F)(F)F)c6ccccc6Sc6ccccc65)CC4)cc3C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.42
DRD2 P14416 3/20 0.42
DRD1 P21728 1/20 0.42
HTR1A P08908 7/20 0.40
DRD5 P21918 1/20 0.39
HTR7 P34969 2/20 0.38
ALOX15 P16050 1/20 0.37
HTR2A P28223 2/20 0.37
HTR6 P50406 1/20 0.37
HTR2C P28335 1/20 0.37
GFER P55789 1/20 0.37
DRD4 P21917 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL5864028 0.98 DRD3 (0.43) DRD3DRD2DRD1HTR1ADRD5
SCHEMBL5863764 0.94 DRD3 (0.48) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863232 0.94 DRD3 (0.45) DRD3DRD2DRD1HTR1ADRD5
SCHEMBL5863978 0.92 DRD3 (0.49) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5864256 0.92 DRD3 (0.43) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863803 0.92 LMNA (0.43) DRD3DRD2DRD1HTR1ADRD5
SCHEMBL5864034 0.92 DRD3 (0.46) DRD3DRD2DRD1HTR1ADRD5
SCHEMBL5864362 0.91 DRD3 (0.41) DRD3DRD2DRD1HTR1ADRD5
SCHEMBL5864033 0.91 DRD3 (0.43) DRD3DRD2DRD1HTR1ADRD5
SCHEMBL5864118 0.91 DRD3 (0.40) DRD3DRD2DRD1HTR1ADRD5

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 DRD3 862/4885DRD2 625/4885DRD1 496/4885

“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.