SCHEMBL6412947

SCHEMBL6412947

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KCNH2 Q12809 2/20 0.36
MAPT P10636 2/20 0.35
CCR2 P41597 1/20 0.35
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.34

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 SCHEMBL6412939 0.99 CCR5 (0.39) CCR5MEN1POLBKMT2ACA12
SCHEMBL6409508 0.94 CCR5 (0.38) CCR5MEN1KMT2AKCNH2CCR2
Hydrochloric Acid SCHEMBL6409500 0.93 CCR5 (0.38) CCR5MEN1KMT2AKCNH2CCR2
SCHEMBL6408826 0.91 MEN1 (0.43) CCR5MEN1POLBKMT2AMAPT
SCHEMBL6414389 0.91 CCR5 (0.37) CCR5KCNH2CCR2PDE4BALDH1A1
SCHEMBL6408703 0.90 CCR5 (0.48) CCR5MEN1POLBKMT2AKCNH2
Hydrochloric Acid SCHEMBL6408823 0.90 MEN1 (0.43) CCR5MEN1POLBKMT2AMAPT
SCHEMBL6415606 0.90 MEN1 (0.39) CCR5MEN1POLBKMT2AMAPT
SCHEMBL6412239 0.90 CCR5 (0.45) CCR5KCNH2
Hydrochloric Acid SCHEMBL6408699 0.90 CCR5 (0.47) CCR5MEN1POLBKMT2AKCNH2

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 CCR5 4/4885MEN1 4007/4885POLB 3564/4885

“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.