SCHEMBL6077372

SCHEMBL6077372

CC[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1OCC(=O)NS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.56
FPR3 P25089 1/20 0.55
GPR65 Q8IYL9 1/20 0.55
GPR35 Q9HC97 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL6077423 0.91 CCR1 (0.59) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6077208 0.90 CCR1 (0.68) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6077776 0.88 PTGDR2 (0.61) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6077253 0.84 CCR1 (0.51) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6078599 0.84 CCR1 (0.51) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6078596 0.84 CCR1 (0.51) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6077061 0.83 CCR1 (0.49) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6246835 0.83 CCR1 (0.67) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6246838 0.83 CCR1 (0.67) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6077485 0.83 CCR1 (0.55) CCR1FPR3GPR65GPR35PTGDR2

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 1/4885FPR3 90/4885GPR65 163/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CCR1 1/4885FPR3 122/4885GPR65 101/4885

“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.