SCHEMBL17002153

SCHEMBL17002153

CC(C)(C)OC(=O)N1CCCC1C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.53
▸ CMA1 P23946 2/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KLK7 P49862 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PRCP P42785 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PREP P48147 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL8422163 1.00 CTRB1 (0.53) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL11598414 0.93 CTRB1 (0.51) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL31195863 0.89 CTRB1 (0.56) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL30689104 0.88 CMA1 (0.49) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL14174437 0.86 CMA1 (0.48) CTRB1CMA1KMT2ANPSR1ACE
SCHEMBL30689122 0.86 CTRB1 (0.48) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL11596068 0.86 CTRB1 (0.53) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL29535218 0.85 CTRB1 (0.58) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL7211627 0.84 CTRB1 (0.55) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL27471050 0.84 CTRB1 (0.55) CTRB1CMA1KMT2AMEN1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224164-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS USING GLYCYL-L-2-METHYLPROLYL-L-GLUMATIC ACID NEUREN PHARMACEUTICALS LIMITED (NZ) 2015-08-13 — — 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-20150224164-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS USING GLYCYL-L-2-METHYLPROLYL-L-GLUMATIC ACID GRIN2D, GRM2, GRIK5 CTRB1 4858/4885CMA1 3445/4885KMT2A 696/4885

“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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