SCHEMBL1768663

SCHEMBL1768663

CC(=O)NCCNC(=O)NCC[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP1A2 P05177 2/20 0.41
GSR P00390 2/20 0.41
SLC7A5 Q01650 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41

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
SCHEMBL1768665 1.00 MTNR1A (0.43) MTNR1AMTNR1BCYP1A2GSRSLC7A5
SCHEMBL22776394 0.92 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2GSRGRM8
SCHEMBL22776508 0.92 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2GSRGRM8
SCHEMBL1512848 0.92 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2GSRGRM8
SCHEMBL1768835 0.92 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2GSRGRM8
SCHEMBL1768739 0.85 CASR (0.45) SLC7A5KDM4EMAPK1HIF1A
SCHEMBL1768743 0.85 CASR (0.45) SLC7A5KDM4EMAPK1HIF1A
SCHEMBL2238055 0.81 OTC (0.57) CYP1A2GSRNOS3NOS1NOS2
SCHEMBL976174 0.81 OTC (0.57) CYP1A2GSRNOS3NOS1NOS2
SCHEMBL3503365 0.81 OTC (0.57) CYP1A2GSRNOS3NOS1NOS2

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-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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 (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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 MTNR1A 750/4885MTNR1B 1638/4885CYP1A2 4368/4885

“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.