SCHEMBL2797155

SCHEMBL2797155

O=C(COc1ccc(Cl)cc1-c1ccno1)C1(O)CCC(Cc2ccc(F)cc2)N(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.45
CCR1 P32246 8/20 0.34
PTGER1 P34995 1/20 0.34
FPR3 P25089 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
GPR35 Q9HC97 1/20 0.34
EPHX2 P34913 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL2798421 0.80 CCR1 (0.54) CCR1FPR3GPR65GPR35
SCHEMBL2797152 0.75 PTGDR2 (0.47) PTGDR2CCR1
SCHEMBL2793497 0.73 CCR1 (0.49) CCR1FPR3GPR65GPR35
SCHEMBL2795850 0.72 SMN1; SMN2 (0.50) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4634356 0.71 PTGDR2 (0.49) PTGDR2CCR1
SCHEMBL6076247 0.69 CCR1 (0.71) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL2794695 0.69 CCR1 (0.51) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL2792743 0.68 PTGDR2 (0.79) PTGDR2EPHX2
SCHEMBL2799145 0.68 CCR1 (0.50) CCR1FPR3GPR65GPR35
SCHEMBL2794750 0.66 DRD2 (0.39) PTGDR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US claimed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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 (1 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 PTGDR2 251/4885CCR1 1/4885PTGER1 228/4885

“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.