SCHEMBL983425

SCHEMBL983425

CCOC(=O)c1cc(C(F)(F)F)ccc1OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.55
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PDE5A O76074 2/20 0.45
PDE6D O43924 1/20 0.45
PDE6A P16499 1/20 0.45
PDE6G P18545 1/20 0.45
PDE6B P35913 1/20 0.45
PDE6C P51160 1/20 0.45

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
SCHEMBL958734 0.88 CYP2C19 (0.53) CYP1A2CYP2C9CYP2C19MRGPRX4MAPT
SCHEMBL2010206 0.87 TSHR (0.46) CYP1A2CYP2C9CYP2C19MRGPRX4MAPT
SCHEMBL477612 0.85 CYP2C19 (0.59) CYP1A2CYP2C9CYP2C19MRGPRX4MAPT
SCHEMBL477642 0.84 CYP2C19 (0.58) CYP1A2CYP2C9CYP2C19MRGPRX4MAPT
SCHEMBL2643391 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19MRGPRX4MAPT
SCHEMBL10566215 0.83 MRGPRX4 (0.49) MRGPRX4MAPTL3MBTL1NPC1RAB9A
SCHEMBL1998119 0.82 CES2 (0.65) MRGPRX4MAPTL3MBTL1NPC1RAB9A
SCHEMBL987643 0.82 MRGPRX4 (0.51) MRGPRX4MAPTL3MBTL1NPC1RAB9A
SCHEMBL25963027 0.82 CA12 (0.64) MRGPRX4MAPTL3MBTL1NPC1RAB9A
SCHEMBL10468226 0.82 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
EP-2344463-A2 1,2 -THIAZOL YL DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7872033-B2 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
WO-2010054024-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-05-14 WO disclosed
EP-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
US-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2009-01-22 US disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 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 (3 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-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TBXA2R CYP1A2 1304/4885CYP2C9 1950/4885CYP2C19 2272/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CYP1A2 1251/4885CYP2C9 1580/4885CYP2C19 1135/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CYP1A2 1266/4885CYP2C9 1462/4885CYP2C19 1090/4885

“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.