SCHEMBL6409110

SCHEMBL6409110

COC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.45
CNR2 P34972 1/20 0.41
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 1/20 0.41
ADAM17 P78536 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
KMT2A Q03164 1/20 0.40
WDR91 A4D1P6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL6409104 0.99 UTS2R (0.44) UTS2RCNR2MMP1MMP13MMP9
SCHEMBL6410848 0.96 CCR5 (0.43) UTS2RMMP1MMP13MMP9ADAM17
Hydrochloric Acid SCHEMBL6410841 0.95 CCR5 (0.42) UTS2RMMP1MMP13MMP9ADAM17
SCHEMBL6415469 0.93 UTS2R (0.42) UTS2RCNR2MMP1MMP13MMP9
SCHEMBL6409321 0.93 UTS2R (0.42) UTS2RCNR2MMP1MMP13MMP9
Hydrochloric Acid SCHEMBL6415463 0.93 UTS2R (0.42) UTS2RCNR2MMP1MMP13MMP9
SCHEMBL6412179 0.92 MMP1 (0.44) UTS2RMMP1MMP13MMP9ADAM17
Hydrochloric Acid SCHEMBL6412173 0.91 MMP1 (0.43) UTS2RMMP1MMP13MMP9ADAM17
Hydrochloric Acid SCHEMBL6410495 0.91 UTS2R (0.47) UTS2RCNR2MMP1MMP13MMP9
Hydrochloric Acid SCHEMBL6409228 0.91 UTS2R (0.43) UTS2RCNR2MMP1MMP13MMP9

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 UTS2R 126/4885CNR2 180/4885MMP1 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.