SCHEMBL6400445

SCHEMBL6400445

COC(=O)c1cc(Cl)cnc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.65
FPR3 P25089 1/20 0.44
GPR65 Q8IYL9 1/20 0.44
GPR35 Q9HC97 1/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
NQO2 P16083 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ACTR2 P61160 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL6075979 0.88 CCR1 (0.62) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6077183 0.88 CCR1 (0.76) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6076871 0.87 CCR1 (0.62) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6075889 0.87 CCR1 (0.63) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6248776 0.86 CCR1 (0.64) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6245344 0.86 CCR1 (0.64) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6076866 0.86 CCR1 (0.60) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL6076374 0.86 CCR1 (0.60) CCR1FPR3GPR65GPR35MAPK11
SCHEMBL4588917 0.85 CCR1 (0.84) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL5972312 0.85 CCR1 (0.84) 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 4 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
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 US disclosed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 US 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 4/4885FPR3 44/4885GPR65 817/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 CCR1 1/4885FPR3 49/4885GPR65 1184/4885

“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.