SCHEMBL4245092

SCHEMBL4245092

CC(O)c1ccc(C2(c3ccccc3C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.40
HTR6 P50406 5/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
HTR1A P08908 3/20 0.33
KDM1A O60341 1/20 0.32
ADRB2 P07550 1/20 0.32
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL11437886 0.68 SLC18A3 (0.52) HTR2CSLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL4676075 0.67 HTR2C (0.57) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL4245090 0.67 CCR5 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL30493303 0.63 HTR2C (0.72) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL23228720 0.63 HTR2C (0.45) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL23209867 0.62 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL19139827 0.62 HTR2C (0.59) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL27565324 0.59 HTR2C (0.51) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL1513258 0.59 HTR2C (1.00) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL9925465 0.59 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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 HTR2C 2293/4885HTR6 2051/4885SLC6A2 3198/4885

“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.