SCHEMBL2339308

SCHEMBL2339308

CCC(=O)N1CC(CN2CCC3(CC2)CCN(Cc2ccc(F)cc2)C3=O)C(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.46
RIPK1 Q13546 1/20 0.41
HDAC11 Q96DB2 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL2339310 1.00 CCR5 (0.46) CCR5RIPK1HDAC11CCR3
SCHEMBL14371477 1.00 CCR5 (0.46) CCR5RIPK1HDAC11CCR3
Hydrochloric Acid SCHEMBL2340984 0.99 CCR5 (0.46) CCR5RIPK1HDAC11CCR3
Hydrochloric Acid SCHEMBL2340979 0.99 CCR5 (0.46) CCR5RIPK1HDAC11CCR3
SCHEMBL2334706 0.92 CCR5 (0.49) CCR5
SCHEMBL14371478 0.92 CCR5 (0.49) CCR5
SCHEMBL2334703 0.92 CCR5 (0.49) CCR5
Hydrochloric Acid SCHEMBL2341990 0.91 CCR5 (0.49) CCR5
SCHEMBL2334421 0.91 CCR5 (0.46) CCR5
Hydrochloric Acid SCHEMBL2341985 0.91 CCR5 (0.49) CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP claimed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US claimed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 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-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 CCR5 2/4885RIPK1 1512/4885HDAC11 515/4885

“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.