SCHEMBL6409281

SCHEMBL6409281

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)OC(C)(C)C)c4cccs4)CC3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
CACNA2D1 P54289 4/20 0.37
HTT P42858 1/20 0.36
CCR5 P51681 3/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 5/20 0.36
OPRD1 P41143 2/20 0.36
SLC6A2 P23975 3/20 0.35
OPRL1 P41146 3/20 0.35

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
SCHEMBL6410548 0.93 MMP1 (0.40) ALDH1A1LMNAMMP1MMP9MMP13
Hydrochloric Acid SCHEMBL6410546 0.92 MMP1 (0.39) ALDH1A1LMNAMMP1MMP9MMP13
SCHEMBL6410431 0.92 CCR5 (0.36) CACNA2D1CCR5SLC6A2
SCHEMBL6417580 0.90 MEN1 (0.39) ALDH1A1LMNAMMP1MMP9MMP13
Hydrochloric Acid SCHEMBL6410249 0.90 CCR5 (0.38) ALDH1A1LMNAMMP1MMP9MMP13
SCHEMBL6414989 0.89 CCR5 (0.35) MMP1MMP9MMP13ADAM17CACNA2D1
Hydrochloric Acid SCHEMBL6417578 0.89 MEN1 (0.38) ALDH1A1LMNAMMP1MMP9MMP13
SCHEMBL6409816 0.88 CCR5 (0.39) LMNAMMP1MMP9MMP13ADAM17
SCHEMBL6410498 0.88 CCR5 (0.39) LMNAMMP1MMP9MMP13ADAM17
SCHEMBL6415470 0.88 OPRM1 (0.39) LMNAMMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 ALDH1A1 869/4885LMNA 3107/4885MMP1 873/4885

“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.