SCHEMBL4240756

SCHEMBL4240756

Fc1ccc2c(c1)OC(c1ccc(C(F)(F)F)cc1)(C1CCNCC1)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KDM1A O60341 1/20 0.35
CCR5 P51681 1/20 0.35
TACR1 P25103 4/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
NPY5R Q15761 1/20 0.33
SCN9A Q15858 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPM8 Q7Z2W7 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) HTR2CMAOAMAOBKDM1ACCR5
SCHEMBL4236452 0.82 HTR2C (0.34) HTR2CKDM1ASLC6A4SLC6A2
SCHEMBL4240421 0.82 HTR7 (0.38) HTR2CMAOAMAOBSLC6A4SLC6A2
SCHEMBL4244422 0.79 HTR2C (0.39) HTR2CMAOAMAOBKDM1ACCR5
SCHEMBL4244427 0.71 HTR2C (0.38) HTR2CMAOBKDM1ATACR1SLC6A4
SCHEMBL4240759 0.71 HTR2C (0.38) HTR2CMAOBKDM1ATACR1SLC6A4
SCHEMBL4240117 0.70 EPHX1 (0.40) HTR2CTACR1SLC6A4SLC6A2KCNH2
SCHEMBL5851728 0.68 SLC6A2 (0.35) MAOAMAOBSLC6A4SLC6A2
SCHEMBL4238688 0.68 DRD2 (0.39) MAOAMAOBKDM1ACCR5SLC6A4
SCHEMBL4240745 0.68 SLC18A3 (0.33) HTR2CMAOAKDM1ACCR5SLC6A4

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 2293/4885MAOA 4693/4885MAOB 4476/4885

“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.