SCHEMBL1103972

SCHEMBL1103972

CCc1cnc(N2CCC(COc3cnc(N4CCN(C(=O)OCc5ccccc5)CC4=O)cn3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
GRIN2B Q13224 10/20 0.40
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN11 Q06124 1/20 0.36
IDH1 O75874 1/20 0.35
CYP2C19 P33261 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL12319837 0.90 GRIN2B (0.40) GRIN2BCYP2D6CYP2C9CYP3A4CNR2
SCHEMBL1103944 0.84 GRIN2B (0.45) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1103945 0.83 GRIN2B (0.43) GRIN2BCYP2D6CYP2C9CYP3A4CNR2
SCHEMBL1103985 0.80 GPR119 (0.42) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1092555 0.78 KDM4E (0.41) GPR119NPC1RAB9A
SCHEMBL11957013 0.76 GPR119 (0.42) GPR119
SCHEMBL1103970 0.75 GPR119 (0.48) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1103976 0.75 GRIN2B (0.41) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1103990 0.75 GPR119 (0.41) GPR119GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1103969 0.74 GPR119 (0.44) 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-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 275/4885CYP2D6 2797/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GPR119 1/4885GRIN2B 275/4885CYP2D6 2797/4885

“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.