SCHEMBL5863808

SCHEMBL5863808

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N(CC1CCCCC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
CCR5 P51681 17/20 0.47

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
SCHEMBL5863294 0.88 CCR5 (0.44) CCR5
SCHEMBL5863862 0.85 AGER (0.49) CHRM2CHRM3CCR5
SCHEMBL5863558 0.84 HDAC1 (0.49) CCR5
SCHEMBL5863894 0.83 CHRM2 (0.51) CHRM2CHRM3CCR5
SCHEMBL5863640 0.83 CCR5 (0.52) CCR5
SCHEMBL5863781 0.82 AGER (0.55) CHRM2CHRM3CCR5
SCHEMBL5863133 0.80 CCR5 (0.55) CCR5
SCHEMBL5863961 0.80 CCR5 (0.48) CHRM2CHRM3CCR5
SCHEMBL5863296 0.80 CCR5 (0.46) CCR5
SCHEMBL5863667 0.79 CCR5 (0.56) CCR5

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 CHRM2 1176/4885CHRM3 1591/4885CCR5 1736/4885

“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.