SCHEMBL4836836

SCHEMBL4836836

CS(=O)(=O)c1ccc(CN2C(=O)NC3(CCN(CC[C@H](NC(=O)CC4CC4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.44
CCR2 P41597 1/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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 SCHEMBL4834063 0.99 CCR5 (0.44) CCR5CCR2SLC6A4SLC6A3
SCHEMBL4828149 0.91 CCR2 (0.48) CCR5CCR2
SCHEMBL4830847 0.90 CCR2 (0.45) CCR5CCR2
Hydrochloric Acid SCHEMBL4833819 0.90 CCR2 (0.47) CCR5CCR2
Hydrochloric Acid SCHEMBL4837107 0.89 CCR2 (0.44) CCR5CCR2
SCHEMBL14197260 0.89 CCR5 (0.46) CCR5CCR2
SCHEMBL4837130 0.89 SLC6A4 (0.44) CCR5SLC6A4SLC6A3
SCHEMBL4830952 0.89 CCR2 (0.47) CCR5CCR2
Hydrochloric Acid SCHEMBL4836329 0.88 CCR5 (0.45) CCR5CCR2
SCHEMBL4833268 0.88 CCR5 (0.49) CCR5SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US claimed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-04-07 US claimed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US disclosed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 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-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR5 5/4885CCR2 6/4885SLC6A4 506/4885

“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.