SCHEMBL1103945

SCHEMBL1103945

CC1(OC(=O)N2CCC(COc3cnc(N4CCN(C(=O)OCc5ccccc5)CC4=O)cn3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.43
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.42
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CNR2 P34972 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
USP19 O94966 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL1103969 0.89 GPR119 (0.44) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL1103944 0.89 GRIN2B (0.45) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL1103907 0.89 GRIN2B (0.47) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL1103960 0.87 GPR119 (0.37) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL1103961 0.87 GPR119 (0.37) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL12319837 0.84 GRIN2B (0.40) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL1103972 0.83 GPR119 (0.40) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL1093448 0.81 GPR119 (0.45)
SCHEMBL11956983 0.79 GPR119 (0.42) GRIN2BUSP19
SCHEMBL1103959 0.79 GPR119 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 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 (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-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GRIN2B 275/4885CYP2D6 2797/4885CYP2C9 2181/4885

“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.