SCHEMBL5864076

SCHEMBL5864076

O=C(O)c1ccc(N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.57
HTR1A P08908 6/20 0.57
HTR2A P28223 6/20 0.57
HRH1 P35367 6/20 0.57
DRD3 P35462 6/20 0.57
SLC6A3 Q01959 5/20 0.57
HTR6 P50406 4/20 0.57
ADRA1A P35348 4/20 0.57
OPRK1 P41145 4/20 0.57
CACNA1F O60840 3/20 0.57
DRD5 P21918 3/20 0.57
HRH2 P25021 3/20 0.57
ADRA1D P25100 3/20 0.57
HTR7 P34969 3/20 0.57
ADRA1B P35368 3/20 0.57
OPRM1 P35372 3/20 0.57
CACNA1D Q01668 3/20 0.57
CACNA1S Q13698 3/20 0.57
CACNA1C Q13936 3/20 0.57
ADORA3 P0DMS8 3/20 0.57

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
SCHEMBL5864444 0.86 CYP3A4 (0.55) DRD4HTR1AHTR2AHRH1DRD3
Fumaric Acid SCHEMBL9601877 0.81 DRD4 (0.60) DRD4HTR1AHTR2AHRH1DRD3
Fumaric Acid SCHEMBL9601866 0.81 DRD4 (0.60) DRD4HTR1AHTR2AHRH1DRD3
SCHEMBL2951878 0.80 ALDH1A1 (0.66) HTR1ATSHRMAPK1RAB9AMEN1
SCHEMBL4750789 0.79 SLC6A3 (0.64) DRD4HTR1AHTR2AHRH1DRD3
SCHEMBL5864261 0.79 ENPP2 (0.55) HTR1ASLC6A3MEN1KMT2ASLC6A4
Hydrochloric Acid SCHEMBL10810457 0.78 MEN1 (0.72) DRD4HTR1AHTR2AHRH1DRD3
SCHEMBL5863501 0.78 SLC6A9 (0.45) DRD4HTR1AHTR2AHRH1DRD3
SCHEMBL10362364 0.77 HTR2A (0.61) DRD4HTR1AHTR2AHRH1DRD3
SCHEMBL1663641 0.77 DRD2 (0.54) DRD4HTR1AHTR2AHRH1DRD3

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 DRD4 599/4885HTR1A 1305/4885HTR2A 1170/4885

“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.