SCHEMBL5863665

SCHEMBL5863665

COc1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)cc1N1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 1/20 0.49
HTR2B P41595 1/20 0.49
AGER Q15109 3/20 0.47
MTNR1A P48039 1/20 0.47
CTSD P07339 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL5863674 0.89 AGER (0.49) CCR5AGERMTNR1A
SCHEMBL5863954 0.87 AGER (0.54) CCR5HTR1AAGERMTNR1A
SCHEMBL5864098 0.86 HTR1A (0.50) CCR5HTR1AHTR1DHTR2BDRD2
SCHEMBL5864122 0.85 CCR5 (0.49) CCR5HTR1AHTR1DHTR2B
SCHEMBL5864068 0.83 AGER (0.57) CCR5AGERMTNR1A
SCHEMBL5863412 0.83 CCR5 (0.47) CCR5HTR1AHTR1DHTR2B
SCHEMBL5863862 0.83 AGER (0.49) CCR5AGERMTNR1A
SCHEMBL5863226 0.79 CCR5 (0.47) CCR5AGERMTNR1A
SCHEMBL5863961 0.79 CCR5 (0.48) CCR5AGERMTNR1A
SCHEMBL5863894 0.79 CHRM2 (0.51) 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 CCR5 1736/4885HTR1A 1305/4885HTR1D 1029/4885

“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.