SCHEMBL21286775

SCHEMBL21286775

CN[C@@H](Cc1ccc(B(O)O)cc1)C(=O)CN[C@@H](CCCC(C)C)C(=O)CN[C@@H](CCCNC(N)=O)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSK P41240 1/20 0.35
▸ NPY4R P50391 15/20 0.35
▸ NPY1R P25929 9/20 0.35
▸ NPY5R Q15761 8/20 0.35
▸ NPY2R P49146 5/20 0.35
▸ KISS1R Q969F8 2/20 0.33
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL20369486 0.82 KISS1R (0.33) KISS1R
SCHEMBL20857559 0.80 SRC (0.37) —
SCHEMBL22930531 0.75 KDM1A (0.35) —
SCHEMBL22878504 0.73 KISS1R (0.35) KISS1R
SCHEMBL15315067 0.72 CSK (0.54) CSK
SCHEMBL20878369 0.71 SRC (0.38) CSK
SCHEMBL13034920 0.69 GRIA1 (0.44) —
SCHEMBL10441955 0.68 C3AR1 (0.38) KISS1R
SCHEMBL15315075 0.68 C3AR1 (0.38) KISS1R
SCHEMBL15691795 0.68 C3AR1 (0.38) KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256559-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2019-08-22 — — 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-20190256559-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF TP53, TP53BP1, MDM2 CSK 978/4885NPY4R 3868/4885NPY1R 3899/4885

“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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