SCHEMBL1103976

SCHEMBL1103976

O=C(OCc1ccccc1)N1CCN(c2ccc(OCC3CCNCC3)cn2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
RBP4 P02753 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
F2 P00734 1/20 0.40
F12 P00748 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
CNR2 P34972 1/20 0.40
PLAU P00749 1/20 0.40
PRSS1 P07477 1/20 0.40
P2RY12 Q9H244 2/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL1103970 0.86 GPR119 (0.48) GRIN2BCYP3A4CYP2D6CYP2C9GPR119
SCHEMBL1103969 0.85 GPR119 (0.44) GRIN2BCYP3A4CYP2D6CYP2C9GPR119
SCHEMBL14006540 0.82 SLC6A2 (0.43) GRIN2BCYP3A4CYP2D6CYP2C9RBP4
SCHEMBL4750456 0.79 HDAC1 (0.50) GRIN2BCYP3A4CYP2D6CYP2C9HDAC1
SCHEMBL17226277 0.79 HDAC1 (0.47) GRIN2BCYP3A4CYP2D6CYP2C9HDAC1
SCHEMBL4003518 0.79 HDAC1 (0.47) GRIN2BCYP3A4CYP2D6CYP2C9HDAC1
SCHEMBL4691214 0.77 HRH3 (0.52) CYP2D6SMN1; SMN2NPC1RAB9AKCNH2
SCHEMBL4807388 0.76 MAPT (0.47) HDAC1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4743828 0.76 GRIN2B (0.49) GRIN2BCYP3A4CYP2D6CYP2C9HDAC1
SCHEMBL12198287 0.76 GPR119 (0.44) GPR119HDAC1

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-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
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 (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 GRIN2B 275/4885CYP3A4 2656/4885CYP2D6 2797/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GRIN2B 275/4885CYP3A4 2656/4885CYP2D6 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.