SCHEMBL6076247

SCHEMBL6076247

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1-c1ccno1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.71
FPR3 P25089 1/20 0.49
GPR65 Q8IYL9 1/20 0.49
GPR35 Q9HC97 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL6077309 0.87 CCR1 (0.72) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5064514 0.84 CCR1 (0.72) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5064519 0.84 CCR1 (0.72) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5064526 0.84 CCR1 (0.72) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5064444 0.84 CCR1 (0.81) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5055661 0.84 CCR1 (0.81) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5064441 0.84 CCR1 (0.81) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5064438 0.84 CCR1 (0.81) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5055647 0.84 CCR1 (0.81) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5055654 0.84 CCR1 (0.81) 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.