Sugi Predict

Sugi Predict / Compounds / SCHEMBL6076722

SCHEMBL6076722

SCHEMBL6076722

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 11/20 0.51
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ MAPK11 Q15759 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ ACTR2 P61160 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL4501274 0.83 PDK1 (0.53) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5056204 0.82 CCR1 (0.49) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5056206 0.82 CCR1 (0.49) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5056207 0.82 CCR1 (0.49) CCR1PDK1PDK2PDK3PDK4
SCHEMBL2932864 0.78 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL6076924 0.78 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL6256307 0.78 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5971697 0.78 CCR1 (0.58) CCR1PDK1PDK2PDK3PDK4
SCHEMBL6077406 0.77 CCR1 (0.57) CCR1PDK1PDK2PDK3PDK4
SCHEMBL5064391 0.77 CCR1 (0.57) 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 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 1/4885PDK1 2128/4885PDK2 1801/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CCR1 1/4885PDK1 2065/4885PDK2 1923/4885

“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.