SCHEMBL13342823

SCHEMBL13342823

Cc1cc(Cl)ccc1OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ ERAP2 Q6P179 3/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ GHSR Q92847 2/20 0.40
▸ NPY4R P50391 6/20 0.40
▸ NPY1R P25929 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MME P08473 1/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ NPY2R P49146 3/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL13607813 0.90 TAS1R3 (0.42) TAS1R3TAS1R1ERAP2OPRK1GHSR
SCHEMBL13342817 0.85 TAS1R3 (0.43) TAS1R3TAS1R1
SCHEMBL13342807 0.84 MEN1 (0.45) ALDH1A1GAA
SCHEMBL13342811 0.82 SCN4A (0.47) OPRK1MME
SCHEMBL16153110 0.82 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1GAA
SCHEMBL13342824 0.78 PSMB5 (0.48) ERAP2OPRK1ALDH1A1ERAP1
SCHEMBL13342793 0.77 TSHR (0.50) ALDH1A1GAA
SCHEMBL13342790 0.75 AAK1 (0.50) TAS1R3TAS1R1ALDH1A1GAA
Hydrochloric Acid SCHEMBL15512388 0.75 DPP8 (0.47) ERAP2NPY4RNPY1RLNPEPERAP1
SCHEMBL13342821 0.75 NPSR1 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — 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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TAS1R3 4794/4885TAS1R1 4668/4885ERAP2 3135/4885

“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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