SCHEMBL4236465

SCHEMBL4236465

CSc1ccc(-c2ccccc2C2(C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.35
PTGS1 P23219 4/20 0.35
HRH1 P35367 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CTSK P43235 5/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL4236456 0.84 GCGR (0.34) PTGS2PTGS1
SCHEMBL4238694 0.84 CHRM1 (0.39) HRH1
SCHEMBL4240748 0.84 HRH1 (0.35) HRH1
SCHEMBL4245341 0.83 HTR1A (0.45) HRH1
SCHEMBL4243013 0.81 OPRD1 (0.42) PTGS2SLC6A2SLC6A4
SCHEMBL4240121 0.78 KDM1A (0.38) HRH1CTSKNISCH
SCHEMBL4236436 0.76
SCHEMBL4236462 0.70 SLC6A4 (0.34) PTGS2SLC6A2SLC6A4
SCHEMBL4240759 0.66 HTR2C (0.38) PTGS2HRH1SLC6A2SLC6A4
SCHEMBL4244427 0.66 HTR2C (0.38) PTGS2HRH1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 PTGS2 1741/4885PTGS1 1100/4885HRH1 1205/4885

“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.