SCHEMBL5863501

SCHEMBL5863501

C=CCN(C(=O)c1ccc(N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
CCR5 P51681 3/20 0.45
AGER Q15109 2/20 0.44
MTNR1A P48039 1/20 0.44
HTR2A P28223 8/20 0.43
HTR2C P28335 6/20 0.43
HTR7 P34969 5/20 0.43
HRH1 P35367 6/20 0.43
DRD3 P35462 6/20 0.43
DRD4 P21917 6/20 0.43
SLC6A3 Q01959 5/20 0.43
HTR1A P08908 5/20 0.43
ADRA1A P35348 4/20 0.43
OPRK1 P41145 4/20 0.43
HTR6 P50406 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
OPRD1 P41143 3/20 0.43
CACNA1F O60840 3/20 0.43
DRD5 P21918 3/20 0.43

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
SCHEMBL5863778 0.85 CCR5 (0.48) CCR5AGERMTNR1ASLC6A3SLC6A4
SCHEMBL5864076 0.78 DRD4 (0.57) HTR2AHTR2CHTR7HRH1DRD3
SCHEMBL5863133 0.77 CCR5 (0.55) CCR5
SCHEMBL5863417 0.77 CCR5 (0.53) CCR5
SCHEMBL5864293 0.77 CCR5 (0.53) CCR5HTR1A
SCHEMBL5863750 0.76 CCR5 (0.48) CCR5AGERDRD4LMNA
SCHEMBL5863667 0.76 CCR5 (0.56) CCR5
SCHEMBL5863572 0.76 CCR5 (0.54) CCR5
SCHEMBL5863255 0.75 ITK (0.39) SLC6A9SLC6A5CCR5AGERMTNR1A
SCHEMBL5863569 0.74 CCR5 (0.57) CCR5HTR2AHTR1AHTR2BADRB1

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 SLC6A9 4045/4885SLC6A5 3643/4885CCR5 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.