SCHEMBL5863564

SCHEMBL5863564

O=C(O)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1C(=O)OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
DRD3 P35462 4/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
OPRM1 P35372 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
CACNA1F O60840 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD5 P21918 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR6 P50406 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL5863467 0.85 HTR1A (0.49) HTR1ADRD3DRD2DRD4OPRM1
SCHEMBL5863559 0.80 HTR1A (0.44) HTR1ADRD3DRD2DRD4OPRM1
SCHEMBL5864086 0.77 DRD2 (0.50) HTR1ADRD3DRD2DRD4OPRM1
SCHEMBL5863945 0.75 HTR1A (0.58) HTR1ADRD3DRD2DRD4OPRM1
SCHEMBL5864253 0.74 KCNA3 (0.54) HTR1ADRD3DRD2DRD4OPRM1
SCHEMBL8550916 0.69 MEN1 (0.55) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL31205771 0.69 TSHR (0.71) ALDH1A1NPC1TP53GLACYP3A4
SCHEMBL20506827 0.69 TSHR (0.71) ALDH1A1NPC1TP53GLACYP3A4
SCHEMBL5863891 0.69 ALDH1A1 (0.55) ALDH1A1NPC1TP53GLACYP3A4
SCHEMBL5864426 0.69 ALDH1A1 (0.71) ALDH1A1NPC1TP53GLACYP3A4

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 HTR1A 1305/4885DRD3 862/4885DRD2 625/4885

“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.