SCHEMBL2116191

SCHEMBL2116191

O=c1cc(C(F)F)n(CC2CC2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
CNR1 P21554 4/20 0.41
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
MAPK14 Q16539 4/20 0.36
SLC6A4 P31645 1/20 0.36
S1PR5 Q9H228 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL2118755 0.83 MAPK14 (0.42) MAPK14ALDH1A1MAPTHSD17B10GRM2
SCHEMBL2117146 0.81 HRH3 (0.41) CYP2D6HRH3HTR2CHTR2BSLC6A4
SCHEMBL2115648 0.80 MAPK14 (0.42) MAPK14ALDH1A1
SCHEMBL2118516 0.77 MAPT (0.41) HRH3MAPK14ALDH1A1MAPTHSD17B10
SCHEMBL2116308 0.72 TYR (0.36) CNR2CNR1
SCHEMBL15948966 0.72 MAPK14 (0.43) MAPK14ALDH1A1MAPT
SCHEMBL12949558 0.70 MRGPRX4 (0.41) S1PR5
SCHEMBL1037340 0.69 MAPK14 (0.70) MAPK14GRM2
SCHEMBL1040161 0.69 MAPK14 (0.70) CYP2D6HRH1HRH3MAPK14GRM2
SCHEMBL1037517 0.69 MAPK14 (0.62) CNR2CNR1MAPK14GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP disclosed
US-8673943-B2 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. (CA) 2014-03-18 US disclosed
US-20120095061-A1 Fluorinated Derivatives of Deferiprone APOTEX TECHNOLOGIES INC. (CA) 2012-04-19 US disclosed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US disclosed
EP-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP disclosed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO disclosed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 US 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 (2 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-20080242706-A1 Fluorinated derivatives of deferiprone SLC40A1, TFRC, FECH CNR2 4472/4885CNR1 4158/4885CYP2D6 1270/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH CNR2 4472/4885CNR1 4158/4885CYP2D6 1270/4885

“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.