SCHEMBL5863879

SCHEMBL5863879

COc1ccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N(Cc1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.46
DRD2 P14416 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 2/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.43
DRD3 P35462 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 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
SCHEMBL5863860 0.89 CCR5 (0.42) CCR5
SCHEMBL5864122 0.84 CCR5 (0.49) CCR5ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL5863531 0.82 CCR5 (0.49) CCR5ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL5863311 0.82 HTR2C (0.47) CCR5DRD2HTR2AHTR1A
SCHEMBL5863327 0.80 CCR5 (0.57) CCR5POLB
SCHEMBL5864172 0.78 CCR5 (0.43) CCR5
SCHEMBL5864075 0.74 CCR5 (0.47) CCR5
SCHEMBL5863401 0.74 CCR5 (0.46) CCR5
SCHEMBL10075542 0.73 TSHR (0.58) MAPTTSHR
SCHEMBL5864014 0.72 MEN1 (0.54) CCR5POLB

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 1736/4885DRD2 625/4885ADRB1 333/4885

“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.