SCHEMBL1103985

SCHEMBL1103985

CCc1cnc(N2CCC(COc3cnc(C4=CCN(C(=O)OCc5ccccc5)CC4)cn3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.42
GRIN2B Q13224 9/20 0.42
GRM5 P41594 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
PRMT1 Q99873 1/20 0.39
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
CNR2 P34972 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL1103990 0.90 GPR119 (0.41) GPR119GRIN2BGRM5LNPEPPRMT1
SCHEMBL1109103 0.85 GRM5 (0.46) GRIN2BGRM5LNPEPPRMT1CYP2D6
SCHEMBL1103972 0.80 GPR119 (0.40) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1093628 0.78 GPR119 (0.47) GPR119NPC1RAB9A
SCHEMBL31198740 0.74 GRM5 (0.52) GRIN2BGRM5LNPEPPRMT1PTGDR2
SCHEMBL13490526 0.73 GRM5 (0.53) GRIN2BGRM5LNPEPPRMT1CYP3A4
SCHEMBL1577496 0.72 GRM5 (0.52) GRIN2BGRM5LNPEPPRMT1PTGDR2
SCHEMBL31198940 0.72 LNPEP (0.41) GRIN2BGRM5LNPEPPRMT1CYP2D6
SCHEMBL31198743 0.72 LNPEP (0.46) GRIN2BGRM5LNPEPPRMT1CYP2D6
SCHEMBL4061203 0.71 GRIN2B (0.48) GPR119GRIN2BCYP2D6CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 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-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GPR119 1/4885GRIN2B 275/4885GRM5 88/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GPR119 1/4885GRIN2B 275/4885GRM5 88/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GPR119 1/4885GRIN2B 275/4885GRM5 88/4885

“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.