SCHEMBL6408397

SCHEMBL6408397

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 5/20 0.42
ADAM17 P78536 3/20 0.42
CACNA1G O43497 2/20 0.40
MCHR1 Q99705 1/20 0.39
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR183 P32249 1/20 0.37
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.36
UTS2R Q9UKP6 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 SCHEMBL6408394 0.99 MMP1 (0.41) MMP13MMP1MMP9ADAM17CACNA1G
SCHEMBL6414737 0.96 CCR5 (0.41) MMP13MMP1MMP9ADAM17CACNA1G
Hydrochloric Acid SCHEMBL6414732 0.95 CCR5 (0.40) MMP13MMP1MMP9ADAM17CACNA1G
SCHEMBL6412179 0.93 MMP1 (0.44) MMP13MMP1MMP9ADAM17CACNA1G
SCHEMBL6415469 0.93 UTS2R (0.42) MMP13MMP1MMP9ADAM17CCR5
Hydrochloric Acid SCHEMBL6412173 0.93 MMP1 (0.43) MMP13MMP1MMP9ADAM17CACNA1G
SCHEMBL6410226 0.92 ROCK2 (0.43) MMP13MMP1MMP9ADAM17CACNA1G
Hydrochloric Acid SCHEMBL6415463 0.92 UTS2R (0.42) MMP13MMP1MMP9ADAM17CCR5
Hydrochloric Acid SCHEMBL6410218 0.91 ROCK2 (0.42) MMP13MMP1MMP9ADAM17CACNA1G
SCHEMBL6415606 0.90 MEN1 (0.39) CCR5ALDH1A1KMT2AMEN1POLB

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 MMP13 1146/4885MMP1 873/4885MMP9 884/4885

“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.