SCHEMBL4244422

SCHEMBL4244422

Fc1cccc2c1OC(c1ccc(C(F)(F)F)cc1)(C1CCNCC1)O2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.39
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCR5 P51681 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM1A O60341 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR1A P08908 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL4243005 0.86 HTR2C (0.45) HTR2COPRD1OPRK1KCNH2CCR5
SCHEMBL4240756 0.79 HTR2C (0.40) HTR2COPRD1OPRK1KCNH2CCR5
SCHEMBL4242880 0.77 CCR5 (0.53) CCR5MAOAMAOBKDM1ATRPM8
SCHEMBL4240117 0.71 EPHX1 (0.40) HTR2CKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4240745 0.69 SLC18A3 (0.33) HTR2COPRD1OPRK1KCNH2CCR5
SCHEMBL4238688 0.69 DRD2 (0.39) CCR5MAOAMAOBKDM1ASLC6A2
SCHEMBL30330362 0.66 HTR2C (0.49) HTR2CKCNH2MAOAMAOBKDM1A
SCHEMBL4245338 0.66 OPRD1 (0.43) HTR2COPRD1KCNH2MAOAMAOB
SCHEMBL4236462 0.66 SLC6A4 (0.34) HTR2CMAOAKDM1ASLC6A2SLC6A4
SCHEMBL4245090 0.64 CCR5 (0.34) OPRD1KCNH2CCR5SLC6A2SLC6A4

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 2293/4885OPRD1 245/4885OPRK1 158/4885

“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.