SCHEMBL1103969

SCHEMBL1103969

CC1(OC(=O)N2CCC(COc3ccc(N4CCN(C(=O)OCc5ccccc5)CC4=O)nc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.44
GRIN2B Q13224 9/20 0.43
FAAH O00519 1/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL1103945 0.89 GRIN2B (0.43) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL1103970 0.89 GPR119 (0.48) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1103976 0.85 GRIN2B (0.41) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1103966 0.82 GPR119 (0.51) GPR119
SCHEMBL11957010 0.80 GPR119 (0.49) GPR119
SCHEMBL1091912 0.80 GPR119 (0.61) GPR119
SCHEMBL1103907 0.79 GRIN2B (0.47) GPR119GRIN2BFAAHCYP2D6CYP2C9
SCHEMBL1093246 0.79 GPR119 (0.60) GPR119
SCHEMBL1103967 0.79 GPR119 (0.45) GPR119
SCHEMBL1103944 0.78 GRIN2B (0.45) GPR119GRIN2BFAAHCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (2 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 GPR119 1/4885GRIN2B 275/4885FAAH 744/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GPR119 1/4885GRIN2B 275/4885FAAH 744/4885

“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.