SCHEMBL21393742

SCHEMBL21393742

CC(=O)N1CC(O)(C(=O)NC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM5A P29375 2/20 0.32
EPHX1 P07099 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
CYP1A2 P05177 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21393711 0.74 ALDH1A1 (0.39) SMN1; SMN2LMNAALDH1A1KDM5AEPHX1
SCHEMBL21393743 0.74 ALDH1A1 (0.32) SMN1; SMN2LMNAALDH1A1
SCHEMBL12801473 0.69 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL23075986 0.69 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL13976334 0.65 EPHX1 (0.34) SMN1; SMN2LMNAALDH1A1EPHX1
SCHEMBL13976947 0.65 EPHX1 (0.34) SMN1; SMN2LMNAALDH1A1EPHX1
SCHEMBL13887704 0.65 LMNA (0.56) SMN1; SMN2LMNACYP1A2TDP1
SCHEMBL11472087 0.65 ALDH1A1 (0.39) SMN1; SMN2LMNAALDH1A1KDM5A
SCHEMBL13827674 0.65
SCHEMBL25093254 0.64 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CHRNB2CHRNA3CHRNA4

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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT SMN1; SMN2 1421/4885LMNA 4632/4885ALDH1A1 650/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 1421/4885LMNA 4632/4885ALDH1A1 650/4885

“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.