SCHEMBL4977781

SCHEMBL4977781

CC1(CCS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCN(CC[C@H](O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 7/20 0.43
CCR5 P51681 5/20 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
SCHEMBL5498416 0.83 CCR5 (0.55) CCR2MEN1KMT2ACCR5
SCHEMBL14284030 0.83 CCR5 (0.55) CCR2MEN1KMT2ACCR5
SCHEMBL6011420 0.80 SLC6A4 (0.54) CCR2CCR5
SCHEMBL4975853 0.79 CCR5 (0.51) CCR2CCR5
SCHEMBL4978743 0.75 LMNA (0.38) MEN1KMT2ACCR5
SCHEMBL4973495 0.73 CCR5 (0.57) CCR5
SCHEMBL14284045 0.70 PTGS2 (0.39) KMT2A
SCHEMBL6011652 0.69 SLC6A4 (0.62) HTR1ACCR5
SCHEMBL6011653 0.69 SLC6A4 (0.62) HTR1ACCR5
SCHEMBL4974334 0.68 ALDH1A1 (0.35)

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
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 CCR2 3/4885MEN1 4736/4885KMT2A 3512/4885

“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.