SCHEMBL12524037

SCHEMBL12524037

CCNCCCCN[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 4/20 0.65
▸ NTSR2 O95665 2/20 0.65
▸ SORT1 Q99523 1/20 0.65
▸ CXCR4 P61073 6/20 0.53
▸ KISS1R Q969F8 4/20 0.49
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ F13A1 P00488 1/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ DPP3 Q9NY33 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47

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
SCHEMBL15080711 0.95 NTSR2 (0.58) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL12523641 0.94 NTSR2 (0.62) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL38652302 0.85 CXCR4 (0.59) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL31290071 0.84 CXCR4 (0.61) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL31506622 0.84 DPP3 (0.61) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL30735734 0.84 CXCR4 (0.58) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL31005883 0.83 KISS1R (0.57) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL31607206 0.83 CXCR4 (0.61) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL29350708 0.82 DPP3 (0.64) NTSR1NTSR2SORT1CXCR4KISS1R
SCHEMBL34470399 0.82 NTSR2 (0.66) NTSR1NTSR2SORT1CXCR4KISS1R

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 3/4885NTSR2 4/4885SORT1 298/4885
US-20120238490-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, FABP3, NTSR1 NTSR1 3/4885NTSR2 4/4885SORT1 298/4885

“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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