SCHEMBL1648959

SCHEMBL1648959

CC(C)C[C@H](N)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.44
DPP4 P27487 11/20 0.40
DPP7 Q9UHL4 7/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 3/20 0.40
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NTSR2 O95665 1/20 0.36
NTSR1 P30989 1/20 0.36

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
SCHEMBL2198493 0.86 NPY4R (0.42) OPRK1DPP4DPP7DPP8DPP9
SCHEMBL1649751 0.83 DPP4 (0.56) DPP4DPP7DPP8DPP9
SCHEMBL29615168 0.81 GNRHR (0.45) NTSR2NTSR1
SCHEMBL29391291 0.81 GNRHR (0.47) OPRK1NTSR2NTSR1
SCHEMBL29383471 0.81 GNRHR (0.45) NTSR2NTSR1
SCHEMBL2182440 0.79 DPP4 (0.52) OPRK1DPP4DPP7DPP8DPP9
SCHEMBL9450511 0.79 DPP4 (0.45) OPRK1DPP4DPP7DPP8DPP9
SCHEMBL2182382 0.79 DPP7 (0.52) DPP4DPP7DPP8DPP9ITGB3
SCHEMBL29058389 0.79 DPP4 (0.48) DPP4DPP7DPP8DPP9
SCHEMBL2194031 0.78 NPY4R (0.48) OPRK1DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105769774-A Degarelix acetate freeze-dried composition for injection and preparation method thereof 张光泉 2016-07-20 CN disclosed
CN-105749245-A Anti-cancer drug degarelix acetate injection and preparation method thereof 张光泉 2016-07-13 CN disclosed
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
CN-102204889-B Degarelix acetate lyophilized powder injection and preparation method thereof BENGBU BBCA TUSHAN PHARM CO 2013-09-18 CN disclosed
CN-102204889-A Degarelix acetate lyophilized powder injection and preparation method thereof BENGBU BBCA TUSHAN PHARM CO 2011-10-05 CN disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 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-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRK1 3229/4885DPP4 193/4885DPP7 218/4885

“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.