SCHEMBL6409601

SCHEMBL6409601

COCC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.38
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
CACNA2D1 P54289 5/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 2/20 0.37
SLC6A2 P23975 5/20 0.36
OPRL1 P41146 2/20 0.36
FAAH O00519 1/20 0.35
ACHE P22303 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 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
Hydrochloric Acid SCHEMBL6413215 0.99 CCR5 (0.38) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6415470 0.93 OPRM1 (0.39) CCR5MMP1MMP13MMP9ADAM17
Hydrochloric Acid SCHEMBL6409008 0.92 OPRM1 (0.39) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6415315 0.92 CCR5 (0.38) CCR5MMP1MMP13MMP9ADAM17
Hydrochloric Acid SCHEMBL6408374 0.91 CCR5 (0.38) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6410548 0.91 MMP1 (0.40) CCR5MMP1MMP13MMP9ADAM17
Hydrochloric Acid SCHEMBL6410546 0.90 MMP1 (0.39) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6414663 0.90 CCR5 (0.37) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6409816 0.90 CCR5 (0.39) CCR5MMP1MMP13MMP9ADAM17
SCHEMBL6410498 0.90 CCR5 (0.39) CCR5MMP1MMP13MMP9ADAM17

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 claimed

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 CCR5 4/4885MMP1 873/4885MMP13 1146/4885

“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.