SCHEMBL2192467

SCHEMBL2192467

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@H]([C]=O)Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD40 P25942 2/20 0.46
IL23R Q5VWK5 1/20 0.46
OPRD1 P41143 5/20 0.44
OPRM1 P35372 4/20 0.44
OPRK1 P41145 1/20 0.44
CHRND Q07001 6/20 0.44
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
NPY4R P50391 1/20 0.44

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
SCHEMBL2183888 0.88 CD40 (0.51) CD40OPRD1OPRM1OPRK1CHRND
SCHEMBL2193850 0.84 NPY4R (0.58) NPY4R
SCHEMBL2191389 0.83 NPY4R (0.55) IL23RNPY4R
SCHEMBL2183041 0.82 NPY4R (0.43) CHRNDNPY4R
SCHEMBL2192841 0.82 NPY4R (0.60) NPY4R
SCHEMBL31619564 0.81 NPY4R (0.57) NPY4R
SCHEMBL29707515 0.81 NPY1R (0.56) NPY4R
SCHEMBL29589142 0.81 NPY1R (0.59) NPY4R
SCHEMBL29511610 0.81 NPY1R (0.56) NPY4R
SCHEMBL16468664 0.80 NPY4R (0.52) CHRNDCHRNA1CHRNGCHRNB1NPY4R

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-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST CD40 2429/4885IL23R 2709/4885OPRD1 3859/4885

“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.