SCHEMBL20763596

SCHEMBL20763596

C=CC(N)CCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
BLM P54132 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
RIPK1 Q13546 2/20 0.34

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
SCHEMBL24387115 0.79 SLC6A2 (0.43) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL24387541 0.79 SLC6A2 (0.43) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL29220480 0.77 RIPK1 (0.30) RIPK1
Hydrochloric Acid SCHEMBL29750304 0.77 SLC6A2 (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL20763612 0.75
SCHEMBL20763832 0.73
SCHEMBL20763597 0.73 RIPK1 (0.31) RIPK1
SCHEMBL28060797 0.73 MEN1 (0.43) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL29433246 0.72
SCHEMBL1485878 0.72

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-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2019-02-21 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-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME PTMS, ANPEP, DNPEP SLC6A2 4823/4885SLC6A4 4653/4885BLM 3356/4885

“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.