SCHEMBL5864182

SCHEMBL5864182

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N(CC1CCCCC1)CC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.48
AVPR1A P37288 5/20 0.47
AVPR2 P30518 1/20 0.47
AVPR1B P47901 1/20 0.47
CCR5 P51681 1/20 0.41
DRD2 P14416 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
CASR P41180 1/20 0.40

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
SCHEMBL5863558 0.85 HDAC1 (0.49) CCR5DRD2HTR1AHTR2A
SCHEMBL5863296 0.85 CCR5 (0.46) CCR5DRD2HTR1AHTR2A
SCHEMBL5863971 0.84 HTR2A (0.43) CCR5DRD2HTR1AHTR2A
SCHEMBL5863560 0.84 CCR5 (0.45) CCR5DRD2HTR1AHTR2A
SCHEMBL5863566 0.84 CCR5 (0.45) CCR5DRD2HTR1AHTR2A
SCHEMBL5863840 0.83 TMEM97 (0.42) CCR5DRD2HTR1AHTR2A
SCHEMBL5863838 0.83 TMEM97 (0.42) CCR5DRD2HTR1AHTR2A
SCHEMBL5863847 0.82 CCR5 (0.49) CCR5DRD2HTR1AHTR2A
SCHEMBL5864115 0.81 HTR2A (0.48) CCR5DRD2HTR1AHTR2A
SCHEMBL5863413 0.80 HTR2A (0.49) CCR5HTR1AHTR2A

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 OXTR 1887/4885AVPR1A 4398/4885AVPR2 4374/4885

“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.