SCHEMBL2334283

SCHEMBL2334283

COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)c5ccccc5Cl)CC4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.57
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL2334288 1.00 CCR5 (0.57) CCR5ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2338633 0.99 CCR5 (0.56) CCR5ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2338638 0.99 CCR5 (0.56) CCR5ALDH1A1HPGD
SCHEMBL14371193 0.92 CCR5 (0.61) CCR5ALDH1A1
SCHEMBL14371204 0.92 CCR5 (0.51) CCR5
SCHEMBL2336661 0.92 CCR5 (0.61) CCR5ALDH1A1
SCHEMBL14371191 0.92 CCR5 (0.51) CCR5
SCHEMBL2343255 0.92 CCR5 (0.51) CCR5
SCHEMBL2342667 0.92 CCR5 (0.51) CCR5
SCHEMBL2335159 0.92 CCR5 (0.56) 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 2/4885ALDH1A1 966/4885HPGD 585/4885

“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.