SCHEMBL3645641

SCHEMBL3645641

CC1CCN(C)C1(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR3 O14843 1/20 0.31
USP2 O75604 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
SCHEMBL28192734 1.00 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL12499718 0.82 PKM (0.30)
SCHEMBL14812011 0.79 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL14812010 0.79 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL14812009 0.79 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL29202200 0.78 MAPK1 (0.32) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL17652040 0.76 MAPK1 (0.31) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL25349750 0.75 SMN1; SMN2 (0.32) MAPK1TP53NFKB1CYP2C19THPO
Hydrochloric Acid SCHEMBL31577601 0.75 MAPK1 (0.31) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL25350747 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107535487-A Application of the sweet amino proline of methyl in pesticide suspension concentrate preparation 京博农化科技股份有限公司 2018-01-05 CN disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 MAPK1 1059/4885TP53 1985/4885NFKB1 1221/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 MAPK1 985/4885TP53 2585/4885NFKB1 1949/4885

“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.