SCHEMBL19912225

SCHEMBL19912225

CC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)C[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.40
▸ NPY5R Q15761 8/20 0.40
▸ NPY1R P25929 8/20 0.40
▸ SIRT5 Q9NXA8 2/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ OPRM1 P35372 6/20 0.36
▸ OPRK1 P41145 6/20 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
Etelcalcetide SCHEMBL21982605 0.93 SIRT5 (0.44) NPY4RNPY5RNPY1RSIRT5NPY2R
Etelcalcetide SCHEMBL20869503 0.93 SIRT5 (0.44) NPY4RNPY5RNPY1RSIRT5NPY2R
Etelcalcetide SCHEMBL20869502 0.93 SIRT5 (0.44) NPY4RNPY5RNPY1RSIRT5NPY2R
Etelcalcetide SCHEMBL22578458 0.92 SIRT5 (0.43) NPY4RNPY5RNPY1RSIRT5NPY2R
Hydrochloric Acid SCHEMBL28425407 0.92 SIRT5 (0.43) NPY4RNPY5RNPY1RSIRT5NPY2R
Etelcalcetide SCHEMBL22578464 0.92 SIRT5 (0.43) NPY4RNPY5RNPY1RSIRT5NPY2R
SCHEMBL24991307 0.88 SIRT5 (0.44) NPY4RNPY5RNPY1RSIRT5NPY2R
Etelcalcetide SCHEMBL22578460 0.87 SIRT5 (0.49) NPY4RNPY5RNPY1RSIRT5NPY2R
SCHEMBL16690663 0.81 NPY4R (0.48) NPY4RNPY5RNPY1RSIRT5NPY2R
SCHEMBL16690636 0.81 NPY4R (0.48) NPY4RNPY5RNPY1RSIRT5NPY2R

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
WO-2018044468-A1 COMBINATION OF LOW DOSE 2-METHYLENE-19-NOR-(20S)-1α, 25-DIHYDROXYVITAMIN D3 AND CALCIMIMETICS TO TREAT SECONDARY HYPERPARATHYROIDISM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-03-08 — — WO disclosed
US-20180055856-A1 COMBINATION OF LOW DOSE 2-METHYLENE-19-NOR-(20S)-1ALPHA, 25-DIHYDROXYVITAMIN D3 AND CALCIMIMETICS TO TREAT SECONDARY HYPERPARATHYROIDISM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-03-01 — — US disclosed
US-20180055856-A1 COMBINATION OF LOW DOSE 2-METHYLENE-19-NOR-(20S)-1ALPHA, 25-DIHYDROXYVITAMIN D3 AND CALCIMIMETICS TO TREAT SECONDARY HYPERPARATHYROIDISM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-03-01 — — 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-20180055856-A1 COMBINATION OF LOW DOSE 2-METHYLENE-19-NOR-(20S)-1ALPHA, 25-DIHYDROXYVITAMIN D3 AND CALCIMIMETICS TO TREAT SECONDARY HYPERPARATHYROIDISM PTH1R, CYP24A1, VDR NPY4R 1856/4885NPY5R 812/4885NPY1R 1012/4885

“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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