SCHEMBL13400265

SCHEMBL13400265

CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.53
TACR1 P25103 1/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM1A O60341 1/20 0.41
OPRM1 P35372 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
SCHEMBL14272920 0.91 CCR5 (0.47) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL3322159 0.89 SLC6A3 (0.53) CCR5TACR1SLC6A2SLC6A4
SCHEMBL13484599 0.89 CCR5 (0.52) CCR5TACR1SLC6A2SLC6A4PDE4A
SCHEMBL7462568 0.87 CCR5 (0.56) CCR5TACR1SLC6A2SLC6A4PDE4A
SCHEMBL3466111 0.87 CCR5 (0.48) CCR5TACR1SLC6A2SLC6A4PDE4A
SCHEMBL3466112 0.87 CCR5 (0.48) CCR5TACR1SLC6A2SLC6A4PDE4A
SCHEMBL7462578 0.87 CCR5 (0.56) CCR5TACR1SLC6A2SLC6A4PDE4A
SCHEMBL652130 0.86 MEN1 (0.53) CCR5TACR1MEN1KMT2AOPRD1
SCHEMBL14415543 0.85 CCR5 (0.55) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL13543969 0.85 CCR5 (0.53) CCR5TACR1PDE4APDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US 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-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 CCR5 1053/4885TACR1 90/4885SLC6A2 1/4885

“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.