SCHEMBL16468929

SCHEMBL16468929

O=[C][C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 1/20 0.43
▸ CTSC P53634 1/20 0.42
▸ REN P00797 1/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ ACE2 Q9BYF1 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
SCHEMBL2194414 0.91 CTSC (0.44) BDKRB2CTSCRENACEOPRM1
SCHEMBL31190175 0.88 BDKRB2 (0.46) BDKRB2CTSCRENDPP4DPP8
SCHEMBL31289579 0.82 BDKRB2 (0.55) BDKRB2RENOPRM1OPRD1
SCHEMBL30829334 0.81 CTSC (0.51) CTSCRENACEOPRM1ACE2
SCHEMBL29484185 0.79 ALDH1A1 (0.50) CTSCRENDPP4DPP8ACE
SCHEMBL29791111 0.78 ALDH1A1 (0.48) CTSCRENDPP4DPP8ACE
SCHEMBL2182428 0.78 CTSC (0.59) CTSCRENDPP4DPP8ACE
SCHEMBL2191326 0.77 MAPK8 (0.46) BDKRB2RENOPRM1OPRD1
SCHEMBL7444796 0.77 DPP4 (0.52) DPP4DPP8DPP9DPP7ACE
SCHEMBL6876603 0.77 CTRB1 (0.48) CTSCRENDPP4ACETACR1

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-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 — — US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 — — 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-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST BDKRB2 3105/4885CTSC 383/4885REN 1890/4885

“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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