SCHEMBL6077580

SCHEMBL6077580

C[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@H](C)CN1CCOc1ccc(Cl)cc1CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.66
PTGDR2 Q9Y5Y4 9/20 0.51
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5064518 0.85 CCR1 (0.89) CCR1PTGDR2
SCHEMBL6077572 0.81 CCR1 (0.58) CCR1PTGDR2
SCHEMBL6075883 0.80 CCR1 (1.00) CCR1PTGDR2
SCHEMBL5060051 0.78 CCR1 (0.87) CCR1PTGDR2
SCHEMBL6077064 0.77 CCR1 (0.62) CCR1PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL6077219 0.75 CCR1 (0.56) CCR1PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL5055443 0.74 PTGDR2 (0.78) CCR1PTGDR2
SCHEMBL6076376 0.72 CCR1 (0.77) CCR1PTGDR2
SCHEMBL6077443 0.72 CCR1 (0.86) CCR1PTGDR2
SCHEMBL6076172 0.72 CCR1 (0.86) CCR1PTGDR2

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 190/4885PPARG 355/4885

“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.