SCHEMBL6076924

SCHEMBL6076924

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)CO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.58
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
MAPK14 Q16539 3/20 0.50
MAPK11 Q15759 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
NQO2 P16083 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
ACTR2 P61160 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2932864 0.89 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL6256307 0.89 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5971697 0.89 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL6077406 0.88 CCR1 (0.57) CCR1PDK1PDK2PDK3PDK4
SCHEMBL20274121 0.88 CCR1 (0.50) CCR1PDK1PDK2PDK3PDK4
SCHEMBL6246788 0.84 CCR1 (0.61) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5066103 0.84 CCR1 (0.67) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5066100 0.84 CCR1 (0.67) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5066097 0.84 CCR1 (0.67) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5056092 0.81 CCR1 (0.66) CCR1PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 US disclosed
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1572704-A1 PHOSPHORUS-CONTAINING PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-09-14 EP disclosed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040127465-A1 Novel phosphorus-containing derivatives PFIZER INC 2004-07-01 US disclosed
WO-2004055031-A1 PHOSPHORUS-CONTAINING PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-07-01 WO disclosed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 EP disclosed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 US disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039377-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-05-13 WO 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
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 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 (5 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 1/4885PDK1 2128/4885PDK2 1801/4885
US-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 CCR1 4/4885PDK1 1591/4885PDK2 1205/4885
US-20040127465-A1 Novel phosphorus-containing derivatives SLC34A2, SLC34A1, SLC20A1 CCR1 39/4885PDK1 516/4885PDK2 939/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CCR1 1/4885PDK1 2065/4885PDK2 1923/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 CCR1 1/4885PDK1 2165/4885PDK2 1568/4885

“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.