SCHEMBL6835898

SCHEMBL6835898

CC1CN(C(=O)COc2ccc(Cl)cc2CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C(C)CN1Cc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.65
FPR3 P25089 1/20 0.48
GPR65 Q8IYL9 1/20 0.48
GPR35 Q9HC97 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL6835896 1.00 CCR1 (0.65) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6076312 0.88 CCR1 (0.73) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6838027 0.87 CCR1 (0.73) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6838026 0.87 CCR1 (0.73) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6078690 0.85 CCR1 (0.76) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587944 0.82 CCR1 (0.77) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587955 0.82 CCR1 (0.77) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4587950 0.82 CCR1 (0.77) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4586570 0.82 CCR1 (0.79) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL4586566 0.82 CCR1 (0.79) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058932-A1 Novel piperazine derivatives PFIZER INC. 2004-03-25 US disclosed
US-6649611-B2 Potent and selective inhibitors of chemokine binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes). PFIZER, INC. 2003-11-18 US disclosed
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2001072728-A9 NOVEL PIPERAZINE DERIVATIVES PFIZER PROD INC (US) 2002-10-10 WO disclosed
US-20020107255-A1 Novel piperazine derivatives PFIZER PRODUCTS INC. 2002-08-08 US disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 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-20040058932-A1 Novel piperazine derivatives IL5, IL17A, CCR2 CCR1 5/4885FPR3 328/4885GPR65 572/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 CCR1 5/4885FPR3 328/4885GPR65 572/4885

“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.