SCHEMBL6417580

SCHEMBL6417580

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 4/20 0.38
OPRD1 P41143 2/20 0.38
CCR5 P51681 5/20 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
ALDH1A1 P00352 3/20 0.38
CACNA2D1 P54289 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37

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 SCHEMBL6417578 0.99 MEN1 (0.38) MEN1POLBKMT2AOPRM1OPRD1
SCHEMBL6410548 0.94 MMP1 (0.40) OPRM1OPRD1CCR5MMP1MMP9
Hydrochloric Acid SCHEMBL6410546 0.93 MMP1 (0.39) OPRM1OPRD1CCR5MMP1MMP9
SCHEMBL6416140 0.91 CCR5 (0.38) OPRM1CCR5CACNA2D1LMNASLC6A2
Hydrochloric Acid SCHEMBL6416135 0.91 CCR5 (0.38) OPRM1CCR5CACNA2D1LMNASLC6A2
SCHEMBL6415470 0.91 OPRM1 (0.39) OPRM1OPRD1CCR5MMP1MMP9
SCHEMBL6409281 0.90 ALDH1A1 (0.38) OPRM1OPRD1CCR5MMP1MMP9
Hydrochloric Acid SCHEMBL6409008 0.90 OPRM1 (0.39) OPRM1OPRD1CCR5MMP1MMP9
SCHEMBL6409816 0.89 CCR5 (0.39) OPRM1OPRD1CCR5MMP1MMP9
SCHEMBL6410498 0.89 CCR5 (0.39) OPRM1OPRD1CCR5MMP1MMP9

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 MEN1 4007/4885POLB 3564/4885KMT2A 4587/4885

“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.