SCHEMBL1109103

SCHEMBL1109103

O=C(OCc1ccccc1)N1CC=C(c2cnc(OCC3CCNCC3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
GRIN2B Q13224 7/20 0.42
LNPEP Q9UIQ6 1/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
PRMT1 Q99873 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 2/20 0.40
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1103985 0.85 GPR119 (0.42) GRM5GRIN2BLNPEPCYP2D6CYP2C9
SCHEMBL31198740 0.79 GRM5 (0.52) GRM5GRIN2BLNPEPPRMT1SMN1; SMN2
SCHEMBL13490670 0.76 GRM5 (0.52) GRM5GRIN2BLNPEPCYP2D6CYP2C9
SCHEMBL13490526 0.76 GRM5 (0.53) GRM5GRIN2BLNPEPCYP3A4PRMT1
SCHEMBL30365847 0.75 GRM5 (0.52) GRM5GRIN2BLNPEPCYP3A4PRMT1
SCHEMBL171485 0.75 GRM5 (0.52) GRM5GRIN2BLNPEPPRMT1SMN1; SMN2
SCHEMBL171369 0.75 GRM5 (0.52) GRM5GRIN2BLNPEPPRMT1SMN1; SMN2
SCHEMBL13490532 0.75 GRM5 (0.52) GRM5GRIN2BLNPEPCYP2D6CYP2C9
SCHEMBL1577496 0.75 GRM5 (0.52) GRM5GRIN2BLNPEPPRMT1SMN1; SMN2
SCHEMBL30899650 0.75 GRM5 (0.52) GRM5GRIN2BLNPEPCYP3A4PRMT1

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 4 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-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

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-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GRM5 88/4885GRIN2B 275/4885LNPEP 3350/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GRM5 88/4885GRIN2B 275/4885LNPEP 3350/4885

“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.