SCHEMBL6413034

SCHEMBL6413034

COc1ccc(CC(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CCR5 P51681 2/20 0.44
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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 SCHEMBL6408922 0.99 SIGMAR1 (0.44) SIGMAR1CCR5OPRD1OPRK1KMT2A
SCHEMBL6416093 0.94 CCR5 (0.49) SIGMAR1CCR5OPRD1OPRK1KMT2A
Hydrochloric Acid SCHEMBL6417642 0.93 CCR5 (0.49) SIGMAR1CCR5OPRD1OPRK1KMT2A
SCHEMBL6417585 0.92 SIGMAR1 (0.45) SIGMAR1CCR5
Hydrochloric Acid SCHEMBL6409005 0.91 SIGMAR1 (0.45) SIGMAR1CCR5
SCHEMBL6410251 0.91 SIGMAR1 (0.43) SIGMAR1CCR5KMT2AMEN1GAA
SCHEMBL6410012 0.91 CCR5 (0.53) SIGMAR1CCR5
SCHEMBL6411114 0.90 SIGMAR1 (0.42) SIGMAR1CCR5OPRD1OPRK1KMT2A
Hydrochloric Acid SCHEMBL6409468 0.90 SIGMAR1 (0.42) SIGMAR1CCR5KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6415132 0.90 CCR5 (0.52) SIGMAR1CCR5

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 SIGMAR1 277/4885CCR5 4/4885OPRD1 177/4885

“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.