SCHEMBL8005035

SCHEMBL8005035

CN[C@@H](CCCNC(=N)N)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.43
▸ NPY1R P25929 7/20 0.43
▸ FOLH1 Q04609 1/20 0.37
▸ ALOX15 P16050 1/20 0.35
▸ NPY5R Q15761 6/20 0.34
▸ NPY2R P49146 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32

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
SCHEMBL13949746 1.00 NPY4R (0.43) NPY4RNPY1RFOLH1ALOX15NPY5R
SCHEMBL23048407 1.00 NPY4R (0.43) NPY4RNPY1RFOLH1ALOX15NPY5R
Hydrochloric Acid SCHEMBL28825330 0.98 NPY4R (0.43) NPY4RNPY1RFOLH1ALOX15NPY5R
Hydrochloric Acid SCHEMBL7303864 0.98 NPY4R (0.43) NPY4RNPY1RFOLH1ALOX15NPY5R
Hydrochloric Acid SCHEMBL7302869 0.98 NPY4R (0.43) NPY4RNPY1RFOLH1ALOX15NPY5R
SCHEMBL2521911 0.95 NPY4R (0.43) NPY4RNPY1RFOLH1ALOX15NPY5R
SCHEMBL16263594 0.90 NPY4R (0.49) NPY4RNPY1RFOLH1NPY5RNPY2R
SCHEMBL27554606 0.88 CAD (0.39) NPY4RNPY1RALOX15NPY5RNPY2R
SCHEMBL8019370 0.88 CAD (0.39) NPY4RNPY1RALOX15NPY5RNPY2R
SCHEMBL18671700 0.86 NPY4R (0.47) NPY4RNPY1RFOLH1NPY5RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 — — EP disclosed
US-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS CHAPERONE TECHNOLOGIES, INC. 2010-04-08 — — US disclosed
EP-1046392-A2 Cosmetic and dermatologic compositions for improving the skin barrier function Beiersdorf AG (DE) 2000-10-25 — — EP disclosed
EP-0969790-A2 COMPOSITIONS FOR TREATING ACNE ROSACEA Beiersdorf Aktiengesellschaft (DE) 2000-01-12 — — EP disclosed
WO-1998036730-A2 COMPOSITIONS FOR TREATING ACNE ROSACEA BEIERSDORF AG (DE) 1998-08-27 — — WO disclosed
US-5389614-A Anticoagulants CASSELLA AG (DE) 1995-02-14 — — 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-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS HSP90AB2P, HSPH1, HSP90AB1 NPY4R 4813/4885NPY1R 4671/4885FOLH1 3002/4885

“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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