SCHEMBL2193490

SCHEMBL2193490

O=C(c1[nH]c2c(F)cccc2c1Sc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK14 Q16539 2/20 0.50
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTR2B P41595 1/20 0.45
TP53 P04637 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SPR P35270 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 2/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL2195143 0.86 POLB (0.59) CYP2C9CYP2C19MAPK14POLBRXFP1
SCHEMBL2192205 0.82 CYP2C9 (0.49) CYP2C9CYP2C19MAPK14HTR2BGRIN2D
SCHEMBL2194476 0.79 GRIN2D (0.56) CYP2C9CYP2C19MAPK14POLBRXFP1
SCHEMBL2193883 0.73 MEN1 (0.47) CYP2C9CYP2C19MAPK14HTR2BGRIN2D
SCHEMBL2193085 0.73 CYP2C9 (0.51) CYP2C9CYP2C19MAPK14HTR2BGRIN2D
SCHEMBL2192576 0.72 POLB (0.57) MAPK14POLBRXFP1TP53MEN1
SCHEMBL2189913 0.72 CYP2C9 (0.52) CYP2C9CYP2C19MAPK14HTR2BGRIN2D
SCHEMBL2191823 0.71 CYP2C9 (0.52) CYP2C9CYP2C19MAPK14HTR2BGRIN2D
SCHEMBL17730097 0.71 HTT (0.69) CYP2C9CYP2C19MAPK14HTR2BSPR
SCHEMBL2192849 0.70 GRIN2D (0.78) CYP2C9CYP2C19MAPK14GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-07-14 US disclosed
EP-2252586-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-11-24 EP disclosed
WO-2009105722-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 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-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 CYP2C9 1566/4885CYP2C19 973/4885MAPK14 2954/4885

“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.