SCHEMBL6246788

SCHEMBL6246788

CC(=O)OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.61
MAPK14 Q16539 4/20 0.46
MAPK11 Q15759 2/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
NQO2 P16083 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
ACTR2 P61160 1/20 0.46
FPR3 P25089 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 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
SCHEMBL5066103 0.86 CCR1 (0.67) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL5066097 0.86 CCR1 (0.67) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL5066100 0.86 CCR1 (0.67) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL6076924 0.84 CCR1 (0.58) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL2932864 0.84 CCR1 (0.58) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL5971697 0.84 CCR1 (0.58) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL6256307 0.84 CCR1 (0.58) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL5059516 0.83 CCR1 (0.66) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL5056092 0.83 CCR1 (0.66) CCR1MAPK14MAPK11PDK1PDK2
SCHEMBL5056086 0.83 CCR1 (0.66) CCR1MAPK14MAPK11PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 US 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 (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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 CCR1 4/4885MAPK14 1882/4885MAPK11 715/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 CCR1 1/4885MAPK14 1437/4885MAPK11 611/4885

“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.