SCHEMBL12523182

SCHEMBL12523182

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCN1CCNC1=N)C(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 15/20 0.56
▸ NMUR2 Q9GZQ4 4/20 0.54
▸ NMUR1 Q9HB89 4/20 0.54
▸ NTSR2 O95665 3/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ EPHA2 P29317 1/20 0.52

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
SCHEMBL12523184 0.90 NTSR1 (0.60) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL12523185 0.89 NTSR1 (0.58) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL12523183 0.88 NTSR1 (0.62) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL30686901 0.84 NTSR1 (0.72) NTSR1NTSR2SORT1
SCHEMBL19682065 0.83 NTSR1 (0.58) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL25957562 0.82 NTSR1 (0.67) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL19682203 0.80 NTSR1 (0.56) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL30038817 0.80 NTSR1 (0.63) NTSR1NTSR2SORT1
SCHEMBL30943511 0.79 NMUR2 (0.58) NTSR1NMUR2NMUR1NTSR2SORT1
SCHEMBL19682089 0.79 NTSR1 (0.55) NTSR1NMUR2NMUR1NTSR2SORT1

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-20130296226-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS HALIMED PHARMACEUTICALS INC (US) 2013-11-07 — — US disclosed
US-8476221-B2 Methods and compositions for the treatment of metabolic disorders HALIMED PHARMACEUTICALS, INC. (US) 2013-07-02 — — US disclosed
US-20120238490-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS HALIMED PHARMACEUTICALS, INC. 2012-09-20 — — 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 (2 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-20130296226-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, FABP3, NTSR1 NTSR1 3/4885NMUR2 478/4885NMUR1 450/4885
US-20120238490-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, FABP3, NTSR1 NTSR1 3/4885NMUR2 478/4885NMUR1 450/4885

“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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