SCHEMBL29754604

SCHEMBL29754604

NC(=O)C(=O)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PIK3CD O00329 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC3 O15379 3/20 0.32
CHEK2 O96017 1/20 0.31
TSHR P16473 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
SCHEMBL29754596 0.91 CES2 (0.41) CES2CES1KDM4E
SCHEMBL28349426 0.86 RIPK1 (0.33) HDAC1HDAC2HDAC3
SCHEMBL2468568 0.81
SCHEMBL13751193 0.80 PIK3CD (0.37) CES2CES1PIK3CDTSHR
SCHEMBL1127232 0.79
SCHEMBL4517263 0.77 CES2 (0.38) CES2CES1PIK3CDHDAC1HDAC2
Hydrochloric Acid SCHEMBL3991321 0.77 SMN1; SMN2 (0.40) PIK3CDKDM4EHDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL28315020 0.77 SMN1; SMN2 (0.40) PIK3CDKDM4EHDAC1HDAC2HDAC3
SCHEMBL29947305 0.76 CHEK2 (0.32) PIK3CDKDM4EHDAC1HDAC2HDAC3
SCHEMBL30636371 0.76

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-11377439-B2 Heterocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2022-07-05 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-11377439-B2 Heterocyclic prolinamide derivatives HTRA1, ALDH1A2, HTRA2 CES2 4790/4885CES1 1812/4885PIK3CD 4338/4885

“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.