SCHEMBL6077060

SCHEMBL6077060

CC(Oc1ccc(Cl)cc1CS(N)(=O)=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.55
PTGDR2 Q9Y5Y4 4/20 0.38
FPR3 P25089 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL6077064 0.83 CCR1 (0.62) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077212 0.81 CCR1 (0.51) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6076311 0.79 CCR1 (0.85) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077572 0.79 CCR1 (0.58) CCR1PTGDR2
SCHEMBL6077752 0.73 CCR1 (0.76) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6076610 0.72 CCR1 (0.75) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6466920 0.71 CCR1 (0.87) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6462939 0.71 CCR1 (0.87) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060676 0.71 CCR1 (1.00) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6465800 0.70 CCR1 (0.98) CCR1PTGDR2FPR3GPR65GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 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-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CCR1 1/4885PTGDR2 190/4885FPR3 122/4885

“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.