SCHEMBL2192849

SCHEMBL2192849

O=C(c1cc2cccc(F)c2[nH]1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.78
GRIN3B O60391 5/20 0.78
GRIN1 Q05586 5/20 0.78
GRIN2A Q12879 5/20 0.78
GRIN2B Q13224 5/20 0.78
GRIN2C Q14957 5/20 0.78
GRIN3A Q8TCU5 5/20 0.78
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
HRH4 Q9H3N8 5/20 0.63
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPK14 Q16539 1/20 0.61
NPC1 O15118 1/20 0.58

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
SCHEMBL30301395 0.83 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2195472 0.83 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13174675 0.82 AKR1C3 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7159340 0.81 MEN1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7157967 0.80 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4815921 0.80 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7161597 0.79 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7177404 0.78 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7158932 0.77 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4813274 0.77 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 1516/4885GRIN3B 402/4885GRIN1 345/4885

“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.