SCHEMBL5863539

SCHEMBL5863539

CON(C)C(=O)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.49
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL5863992 0.86 CCR5 (0.51) CCR5MEN1GFERKMT2A
SCHEMBL5863963 0.85 HTR2C (0.51) CCR5MEN1GFERKMT2A
SCHEMBL5863456 0.84 CCR5 (0.48) CCR5DRD4
SCHEMBL5864014 0.84 MEN1 (0.54) CCR5MEN1KMT2A
SCHEMBL5863727 0.83 HTR2C (0.63) CCR5
SCHEMBL5863335 0.83 KDM4E (0.57) MEN1KMT2AHTR2A
SCHEMBL5863519 0.83 CCR5 (0.64) CCR5
SCHEMBL5863488 0.82 CCR5 (0.46) CCR5KMT2ASIGMAR1
SCHEMBL5863895 0.81 KCNA3 (0.54) MAPT
SCHEMBL5863664 0.81 ACACB (0.48) 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 1736/4885MAPT 4733/4885MAPK1 2506/4885

“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.