SCHEMBL6077219

SCHEMBL6077219

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1CCOc1ccc(Cl)cc1COCC(=O)CS(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.56
PTGDR2 Q9Y5Y4 5/20 0.45
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL6076934 0.89 CCR1 (0.72) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077064 0.85 CCR1 (0.62) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6075788 0.76 CCR1 (0.82) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6076311 0.76 CCR1 (0.85) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6076929 0.75 CCR1 (0.72) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077580 0.75 CCR1 (0.66) CCR1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL6076367 0.73 CCR1 (0.71) CCR1PTGDR2FPR3GPR65GPR35
Ethylenediamine SCHEMBL6463190 0.73 CCR1 (0.93) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4588016 0.72 CCR1 (0.82) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4588019 0.72 CCR1 (0.82) 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.