SCHEMBL6835259

SCHEMBL6835259

CCN(CC)CCNCc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.69
PTGDR2 Q9Y5Y4 1/20 0.51
FPR3 P25089 1/20 0.50
GPR65 Q8IYL9 1/20 0.50
GPR35 Q9HC97 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 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
SCHEMBL6835258 1.00 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060159 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060162 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060156 0.90 CCR1 (0.74) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589298 0.90 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589294 0.90 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4589300 0.90 CCR1 (0.77) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587675 0.89 CCR1 (0.78) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587678 0.89 CCR1 (0.78) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4587669 0.89 CCR1 (0.78) 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 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 5/4885PTGDR2 148/4885FPR3 328/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 CCR1 5/4885PTGDR2 148/4885FPR3 328/4885

“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.