SCHEMBL2196378

SCHEMBL2196378

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.42
▸ NPY1R P25929 7/20 0.42
▸ NPY5R Q15761 6/20 0.42
▸ NPY2R P49146 3/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ BECN1 Q14457 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL2183043 0.90 OPRK1 (0.42) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL2195684 0.88 HDAC3 (0.41) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL34464906 0.88 NMUR2 (0.47) NPY4RNPY1RNPY5RNPY2RHDAC3
Cibinetide SCHEMBL29367092 0.83 TFPI (0.45) NPY4RNPY1RNPY5RBECN1
SCHEMBL11149805 0.81 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RHDAC3
SCHEMBL10935464 0.80 APLNR (0.42) NPY4RNPY1RNPY5RNPY2ROPRK1
Hydrochloric Acid SCHEMBL11136863 0.80 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RHDAC3
SCHEMBL1371046 0.80 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL11576691 0.78 HDAC3 (0.41) NPY4RNPY1RNPY5RNPY2ROPRK1
SCHEMBL23300534 0.78 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC11

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 NPY4R 2480/4885NPY1R 3329/4885NPY5R 3577/4885

“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.

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