SCHEMBL6077618

SCHEMBL6077618

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Br)cc1CCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.69
PTGDR2 Q9Y5Y4 3/20 0.47
FPR3 P25089 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43
PTGER1 P34995 1/20 0.42
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
NQO2 P16083 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
ACTR2 P61160 1/20 0.41

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
SCHEMBL5066297 0.91 CCR1 (0.82) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6075790 0.90 CCR1 (0.70) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077257 0.90 CCR1 (0.84) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5059420 0.89 CCR1 (0.68) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5059422 0.89 CCR1 (0.68) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5059425 0.89 CCR1 (0.68) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5065867 0.88 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5065861 0.88 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5065878 0.88 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6246952 0.88 CCR1 (0.70) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO 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 (2 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 CCR1 1/4885PTGDR2 174/4885FPR3 90/4885
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.