SCHEMBL20950991

SCHEMBL20950991

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)O)NC(=O)C1CCCC1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.48
▸ EED O75530 1/20 0.43
▸ NPY4R P50391 6/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ NPY2R P49146 3/20 0.43
▸ NPY5R Q15761 3/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ PSMB5 P28074 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CDYL2 Q8N8U2 1/20 0.40
▸ CDYL Q9Y232 1/20 0.40

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
SCHEMBL20950992 1.00 KISS1R (0.48) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951952 0.97 KISS1R (0.46) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951954 0.97 KISS1R (0.46) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951656 0.95 KISS1R (0.48) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951659 0.95 KISS1R (0.48) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951352 0.92 KISS1R (0.45) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951350 0.92 KISS1R (0.45) KISS1REEDNPY4RNPY1RNPY2R
SCHEMBL20951586 0.86 EED (0.43) EEDGRIN1GRIN2APSMB5SMN1; SMN2
SCHEMBL20951584 0.86 EED (0.43) EEDGRIN1GRIN2APSMB5SMN1; SMN2
SCHEMBL20952281 0.84 NPY4R (0.47) KISS1RNPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 — — US disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 — — 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-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 KISS1R 2444/4885EED 2449/4885NPY4R 3053/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 KISS1R 2444/4885EED 2449/4885NPY4R 3053/4885

“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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