SCHEMBL25833946

SCHEMBL25833946

CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17337527 0.87 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL17581727 0.87 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL17337530 0.87 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL903407 0.87 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL23987692 0.85 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL17337681 0.85 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL22625783 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL15292983 0.85 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL20159719 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL6256332 0.85 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230129674-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE SIGMA-ALDRICH CO. LLC 2023-04-27 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-20230129674-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE AURKC, AURKA, AURKB SLC6A3 3798/4885SLC6A2 3857/4885SLC6A4 3415/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS SLC6A3 1967/4885SLC6A2 1637/4885SLC6A4 2228/4885

“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.