SCHEMBL4240117

SCHEMBL4240117

FC(F)(F)Oc1ccc(C2(C3CCNCC3)Oc3ccccc3O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
SLC6A4 P31645 10/20 0.38
SLC6A3 Q01959 8/20 0.38
SLC6A2 P23975 3/20 0.38
HTR2C P28335 1/20 0.36
KCNH2 Q12809 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CCR6 P51684 1/20 0.34
TACR1 P25103 1/20 0.34
GRIN2B Q13224 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
SCHEMBL4245338 0.83 OPRD1 (0.43) SLC6A4SLC6A3SLC6A2HTR2CKCNH2
SCHEMBL4243005 0.83 HTR2C (0.45) SLC6A4SLC6A2HTR2CKCNH2TACR1
SCHEMBL4238688 0.78 DRD2 (0.39) SLC6A4SLC6A3SLC6A2DRD2
SCHEMBL4240745 0.78 SLC18A3 (0.33) SLC6A4SLC6A3SLC6A2HTR2CKCNH2
SCHEMBL4236462 0.75 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2HTR2CDRD2
SCHEMBL4245517 0.74 CCR5 (0.49) SLC6A4SLC6A3SLC6A2KCNH2CCR6
SCHEMBL4245090 0.73 CCR5 (0.34) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4240121 0.72 KDM1A (0.38) EPHX1HTR2CSCN10ACTSLCTSB
SCHEMBL4244422 0.71 HTR2C (0.39) SLC6A4SLC6A3SLC6A2HTR2CKCNH2
SCHEMBL4240756 0.70 HTR2C (0.40) SLC6A4SLC6A2HTR2CKCNH2TACR1

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 EPHX1 1384/4885SLC6A4 3084/4885SLC6A3 2527/4885

“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.