SCHEMBL3780786

SCHEMBL3780786

CCCCCC1CN[C@H](C(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.58
ALDH1A1 P00352 3/20 0.46
S1PR3 Q99500 2/20 0.46
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALOX5 P09917 1/20 0.41
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38

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
SCHEMBL4867875 1.00 ARG1 (0.58) ARG1ALDH1A1S1PR3CYP1A2ALOX15
SCHEMBL5511790 0.95 ARG1 (0.60) ARG1ALDH1A1S1PR3CYP1A2ALOX15
SCHEMBL3787271 0.95 ARG1 (0.60) ARG1ALDH1A1S1PR3CYP1A2ALOX15
SCHEMBL26118062 0.87 ARG1 (0.64) ARG1ALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL11650754 0.87 ARG1 (0.64) ARG1ALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL1034091 0.87 ARG1 (0.64) ARG1ALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL3776510 0.87 ARG1 (0.64) ARG1ALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL10076629 0.85 DRD3 (0.43) ARG1ALDH1A1S1PR3DRD3SLC6A3
SCHEMBL1567292 0.83 ARG1 (0.60) ARG1ALDH1A1S1PR3CYP1A2ALOX15
SCHEMBL28637907 0.82 DRD3 (0.60) ARG1ALDH1A1S1PR3CYP1A2ALOX15

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-10010541-B2 Modulation of tissue transglutaminase activation in disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-07-03 US disclosed
US-20160339012-A1 Modulation of Tissue Transglutaminase Activation in Disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR (US) 2016-11-24 US disclosed
WO-2015116846-A1 MODULATION OF TISSUE TRANSGLUTAMINASE ACTIVATION IN DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-06 WO disclosed
WO-2010127645-A2 THE METHOD OF BIOTECHNOLOGICAL PREPARATION OF LINCOMYCIN DERIVATIVES AND ITS USING INSTITUTE OF MICROBIOLOGY AS CR, V. V. I. (CZ) 2010-11-11 WO 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-10010541-B2 Modulation of tissue transglutaminase activation in disease TGM2, GLS, TGM3 ARG1 240/4885ALDH1A1 3710/4885S1PR3 2956/4885
US-20160339012-A1 Modulation of Tissue Transglutaminase Activation in Disease TGM2, GLS, TGM3 ARG1 240/4885ALDH1A1 3710/4885S1PR3 2956/4885

“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.