SCHEMBL13315201

SCHEMBL13315201

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)Nc1c(NCCCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(=O)c1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.53
NTSR1 P30989 7/20 0.52
OPRD1 P41143 3/20 0.51
NTSR2 O95665 3/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
SORT1 Q99523 2/20 0.50
REN P00797 6/20 0.50

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
SCHEMBL12801509 0.97 NPY1R (0.51) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL12801453 0.89 NPY1R (0.58) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL12801534 0.87 NPY1R (0.63) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL16386324 0.87 OPRD1 (0.57) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL13349129 0.87 OPRD1 (0.57) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL13315205 0.86 NPY1R (0.56) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL16386378 0.85 NPY1R (0.56) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL12801814 0.84 NPY1R (0.54) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL10305285 0.84 OPRD1 (0.55) NPY1RNTSR1OPRD1NTSR2OPRM1
SCHEMBL14049654 0.82 NTSR1 (0.56) NTSR1OPRD1NTSR2OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 US disclosed
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 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 (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-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS TPX2, VIP, BAX NPY1R 191/4885NTSR1 3787/4885OPRD1 3632/4885

“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.