SCHEMBL5863840

SCHEMBL5863840

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N(C/C=C/c1ccccc1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CCR5 P51681 5/20 0.42
HTR2A P28223 5/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2C P28335 3/20 0.40
HTR7 P34969 3/20 0.40
ACKR3 P25106 1/20 0.40
CHRM3 P20309 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5863838 1.00 TMEM97 (0.42) TMEM97SIGMAR1CCR5HTR2AHTR1A
SCHEMBL5863566 0.91 CCR5 (0.45) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5863560 0.91 CCR5 (0.45) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5863296 0.90 CCR5 (0.46) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5863558 0.87 HDAC1 (0.49) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5863971 0.85 HTR2A (0.43) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5864182 0.83 OXTR (0.48) CCR5HTR2AHTR1ADRD2
SCHEMBL5863847 0.83 CCR5 (0.49) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5864115 0.83 HTR2A (0.48) CCR5HTR2AHTR1ADRD2HTR2C
SCHEMBL5863413 0.81 HTR2A (0.49) SIGMAR1CCR5HTR2AHTR1AHTR2C

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 TMEM97 559/4885SIGMAR1 202/4885CCR5 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.