SCHEMBL20369486

SCHEMBL20369486

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.33
▸ CACNA1B Q00975 2/20 0.32
▸ C3AR1 Q16581 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
SCHEMBL22878504 0.90 KISS1R (0.35) KISS1RCACNA1BC3AR1
SCHEMBL22930531 0.89 KDM1A (0.35) —
SCHEMBL20857557 0.83 KDM1A (0.39) —
SCHEMBL21286775 0.82 CSK (0.35) KISS1R
SCHEMBL10441955 0.81 C3AR1 (0.38) KISS1RCACNA1BC3AR1
SCHEMBL15315075 0.81 C3AR1 (0.38) KISS1RCACNA1BC3AR1
SCHEMBL15691795 0.81 C3AR1 (0.38) KISS1RCACNA1BC3AR1
SCHEMBL25138026 0.78 KDM1A (0.33) —
SCHEMBL19818159 0.77 SIRT6 (0.40) KISS1RC3AR1
SCHEMBL13937744 0.76 ANPEP (0.40) KISS1RC3AR1

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-10813884-B2 WNT compositions and methods for purification THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-10-27 — — US disclosed
US-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA AILERON THERAPEUTICS, INC. 2019-07-25 — — US disclosed
US-20180193264-A1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2018-07-12 — — 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 (3 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-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA HIF1A, HIF1AN, EGLN3 KISS1R 1208/4885CACNA1B 4763/4885C3AR1 367/4885
US-10813884-B2 WNT compositions and methods for purification WNT3A, CTNNBL1, WNT1 KISS1R 4586/4885CACNA1B 3451/4885C3AR1 2359/4885
US-20180193264-A1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION WNT3A, CTNNBL1, WNT1 KISS1R 4586/4885CACNA1B 3451/4885C3AR1 2359/4885

“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.

Send feedback