SCHEMBL20469331

SCHEMBL20469331

C[C@H]1CCCN(C(=O)C(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
RECQL P46063 1/20 0.49
HPGD P15428 5/20 0.45
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL12156724 1.00 ALDH1A1 (0.56) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL14165329 0.94 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL6840322 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL6840446 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL9963882 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL14654951 0.85 ALDH1A1 (0.53) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL13139374 0.85 ALDH1A1 (0.53) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL13211815 0.85 ALDH1A1 (0.53) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL12957888 0.83 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL8038843 0.83 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS YALE UNIVERSITY 2022-03-31 US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 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 (3 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 1466/4885LMNA 3987/4885POLB 3040/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP ALDH1A1 1466/4885LMNA 3987/4885POLB 3040/4885
US-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS DUSP5, DUSP4, DUSP6 ALDH1A1 1762/4885LMNA 2987/4885POLB 3424/4885

“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.