SCHEMBL6410264

SCHEMBL6410264

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)Cc4ccccc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.55
SIGMAR1 Q99720 2/20 0.47
CNR2 P34972 1/20 0.44
UTS2R Q9UKP6 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
FAAH O00519 1/20 0.42
ACHE P22303 1/20 0.42
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41

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 SCHEMBL6409167 0.99 CCR5 (0.55) CCR5SIGMAR1CNR2UTS2RALDH1A1
SCHEMBL6413008 0.99 CCR5 (0.56) CCR5SIGMAR1CNR2UTS2RALDH1A1
Hydrochloric Acid SCHEMBL6409470 0.98 CCR5 (0.55) CCR5SIGMAR1CNR2UTS2RALDH1A1
SCHEMBL6410012 0.95 CCR5 (0.53) CCR5SIGMAR1CNR2UTS2RALDH1A1
Hydrochloric Acid SCHEMBL6415132 0.94 CCR5 (0.52) CCR5SIGMAR1CNR2UTS2RALDH1A1
Hydrochloric Acid SCHEMBL6411285 0.94 CCR5 (0.50) CCR5SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL6416261 0.93 CCR5 (0.51) CCR5SIGMAR1UTS2RMMP1MMP9
Hydrochloric Acid SCHEMBL6409981 0.92 CCR5 (0.49) CCR5SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL6409525 0.92 CCR5 (0.48) CCR5SIGMAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6414871 0.92 CCR5 (0.48) CCR5SIGMAR1UTS2RALDH1A1MEN1

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 4/4885SIGMAR1 277/4885CNR2 180/4885

“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.