SCHEMBL5064429

SCHEMBL5064429

C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1CC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.79
CCR1 P32246 13/20 0.76
FPR3 P25089 1/20 0.70
GPR65 Q8IYL9 1/20 0.70
GPR35 Q9HC97 1/20 0.70

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
SCHEMBL5055443 0.94 PTGDR2 (0.78) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL5056327 0.93 PTGDR2 (0.69) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077344 0.93 PTGDR2 (0.71) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL5055642 0.91 PTGDR2 (0.74) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6077784 0.91 PTGDR2 (0.66) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6250168 0.91 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4587390 0.91 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6250104 0.91 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6250164 0.91 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL5060058 0.90 CCR1 (0.66) PTGDR2CCR1FPR3GPR65GPR35

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US claimed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP claimed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO claimed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP claimed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO claimed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
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
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO 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 (3 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 PTGDR2 174/4885CCR1 1/4885FPR3 90/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 PTGDR2 190/4885CCR1 1/4885FPR3 122/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 PTGDR2 72/4885CCR1 4304/4885FPR3 4042/4885

“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.