SCHEMBL19224360

SCHEMBL19224360

CCCCCCCNCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX1 P07099 4/20 0.38
CA14 Q9ULX7 1/20 0.38
PAOX Q6QHF9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL2984350 0.98 ALDH1A1 (0.41) ALDH1A1TSHRMAOAMAOBS1PR2
SCHEMBL22541110 0.94 CA14 (0.39) ALDH1A1TSHRMAOAMAOBHDAC1
SCHEMBL13355834 0.87 FPR3 (0.38) HDAC1HDAC2HDAC6CA14PAOX
SCHEMBL26900686 0.87 CA14 (0.41) MAOAMAOBHDAC1HDAC2HDAC6
SCHEMBL16982892 0.85 EPHX2 (0.42) MAOAMAOBHDAC1HDAC2HDAC6
SCHEMBL15223854 0.84 PAOX (0.46) ALDH1A1MAOAMAOBHDAC1HDAC2
SCHEMBL22771101 0.84 CA14 (0.42) MAOAMAOBHDAC1HDAC2HDAC6
SCHEMBL30999444 0.84 TDP1 (0.42) ALDH1A1MAOAMAOBHDAC1HDAC2
SCHEMBL22113731 0.84 HDAC1 (0.41) ALDH1A1TSHRMAOAMAOBHDAC1
SCHEMBL25352467 0.84 CA14 (0.48) ALDH1A1MAOAMAOBHDAC1HDAC2

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-11802114-B2 Compounds and methods for detection of superoxide PROMEGA CORPORATION (US) 2023-10-31 US disclosed
US-20170224829-A1 Prodrugs Comprising an Aminoalkyl Glycine Linker ASCENDIS PHARMA A/S (DK) 2017-08-10 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-20170224829-A1 Prodrugs Comprising an Aminoalkyl Glycine Linker DNPEP, PAM, ASNS ALDH1A1 725/4885TSHR 2899/4885MAOA 1637/4885
US-11802114-B2 Compounds and methods for detection of superoxide SOD1, GPX4, SOD3 ALDH1A1 198/4885TSHR 4831/4885MAOA 356/4885

“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.