SCHEMBL5864086

SCHEMBL5864086

Cc1c(C(=O)O)cccc1N1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
HTR1A P08908 4/20 0.49
KCNA3 P22001 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2B P41595 1/20 0.47
CCR5 P51681 1/20 0.45
OPRK1 P41145 1/20 0.44

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
SCHEMBL5864253 0.88 KCNA3 (0.54) DRD2DRD4OPRM1DRD3HTR1A
SCHEMBL5863467 0.83 HTR1A (0.49) DRD2DRD4OPRM1DRD3HTR1A
SCHEMBL5863945 0.81 HTR1A (0.58) DRD2DRD4OPRM1DRD3HTR1A
SCHEMBL5863610 0.81 CCR5 (0.48) OPRM1HTR1AHTR1DHTR2BCCR5
SCHEMBL5863877 0.80 HTR1A (0.46) HTR1AKCNA3ALDH1A1CCR5OPRK1
SCHEMBL5863226 0.79 CCR5 (0.47) OPRM1CCR5
SCHEMBL8510525 0.79 GAA (0.51) MEN1ALDH1A1KMT2A
SCHEMBL3436293 0.79 ALDH1A1 (0.49) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL5864133 0.78 CCR5 (0.56) CCR5
Hydrochloric Acid SCHEMBL28119858 0.77 ALDH1A1 (0.48) DRD2DRD4DRD3HTR1AMEN1

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 DRD2 625/4885DRD4 599/4885OPRM1 513/4885

“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.