SCHEMBL6415549

SCHEMBL6415549

COc1ccc(CN2CCC3(CCN(CC[C@H](NC(=O)C4CC4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.60
KCNH2 Q12809 1/20 0.48

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
SCHEMBL6415554 1.00 CCR5 (0.60) CCR5KCNH2
Hydrochloric Acid SCHEMBL6429897 0.99 CCR5 (0.59) CCR5KCNH2
Hydrochloric Acid SCHEMBL6410803 0.99 CCR5 (0.59) CCR5KCNH2
SCHEMBL6417677 0.97 CCR5 (0.63) CCR5KCNH2
SCHEMBL6417679 0.97 CCR5 (0.63) CCR5KCNH2
SCHEMBL6409249 0.96 CCR5 (0.62) CCR5KCNH2
Hydrochloric Acid SCHEMBL6411417 0.96 CCR5 (0.62) CCR5KCNH2
Hydrochloric Acid SCHEMBL6411408 0.96 CCR5 (0.62) CCR5KCNH2
SCHEMBL6409254 0.96 CCR5 (0.62) CCR5KCNH2
Hydrochloric Acid SCHEMBL6416591 0.95 CCR5 (0.61) CCR5KCNH2

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 4/4885KCNH2 3076/4885

“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.