SCHEMBL5863531

SCHEMBL5863531

COc1ccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N(C(C)C)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.49
HTR2B P41595 2/20 0.44
HTR1A P08908 2/20 0.44
HTR1D P28221 1/20 0.44
ADRB1 P08588 1/20 0.43
HTR2A P28223 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.42
DRD3 P35462 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL5863327 0.90 CCR5 (0.57) CCR5
SCHEMBL5863907 0.89 CCR5 (0.47) CCR5
SCHEMBL5864122 0.86 CCR5 (0.49) CCR5HTR2BHTR1AHTR1DADRB1
SCHEMBL5864098 0.84 HTR1A (0.50) CCR5HTR2BHTR1AHTR1D
SCHEMBL5863396 0.83 CCR5 (0.50) CCR5
SCHEMBL5863879 0.82 CCR5 (0.46) CCR5HTR2BHTR1AADRB1HTR2A
SCHEMBL5864172 0.80 CCR5 (0.43) CCR5
SCHEMBL5863610 0.79 CCR5 (0.48) CCR5HTR2BHTR1AHTR1D
SCHEMBL5863626 0.78 CCR5 (0.56) CCR5
SCHEMBL5863375 0.77 HTR2C (0.46) CCR5HTR1A

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 1736/4885HTR2B 515/4885HTR1A 1305/4885

“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.