SCHEMBL13136170

SCHEMBL13136170

CCOC(=O)C1CCN(CCNC(C)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
LTA4H P09960 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL15569388 0.84 MAPT (0.62) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL31452925 0.82 MEN1 (0.66) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4172495 0.81 MAPT (0.58) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL15956633 0.80 MAPT (0.57) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5071255 0.80 MAPT (0.57) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1440000 0.78 MAPT (0.55) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL30924929 0.78 MAPT (0.55) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL853489 0.78 MAPT (0.55) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL30414662 0.78 MAPT (0.55) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6950591 0.78 MAPT (0.55) LMNAMAPTSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153157-A1 THERMOGELLING SUPRAMOLECULAR SPONGE AS SELF-HEALING AND BIOCOMPATIBLE HYDROGEL JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2019-05-23 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 LMNA 4583/4885MAPT 4830/4885SMN1; SMN2 4533/4885
US-20190153157-A1 THERMOGELLING SUPRAMOLECULAR SPONGE AS SELF-HEALING AND BIOCOMPATIBLE HYDROGEL BOLA2; BOLA2B, HSPA1B, HSPB1 LMNA 989/4885MAPT 4763/4885SMN1; SMN2 1430/4885

“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.