SCHEMBL3601155

SCHEMBL3601155

CC(C)[C@H]1CCCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
ACE P12821 6/20 0.41
REN P00797 4/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
DPP4 P27487 8/20 0.40
DPP7 Q9UHL4 7/20 0.40

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
SCHEMBL2830584 1.00 RAB9A (0.44) RAB9AACERENKDM4EF2
SCHEMBL28283828 0.94 RAB9A (0.39) RAB9AACERENKDM4EF2
SCHEMBL29481543 0.88 ACE (0.41) RAB9AACERENKDM4EF2
SCHEMBL29281652 0.86 ACE (0.40) RAB9AACERENKDM4EF2
SCHEMBL15819844 0.86 ACE (0.40) RAB9AACERENKDM4EF2
SCHEMBL25218836 0.86 ACE (0.40) RAB9AACERENKDM4EF2
SCHEMBL23533235 0.86 ACE (0.40) RAB9AACERENKDM4EF2
SCHEMBL4382671 0.86 ACE (0.40) RAB9AACERENKDM4EF2
SCHEMBL19617076 0.86 ACE (0.40) RAB9AACERENKDM4EF2
SCHEMBL20186757 0.84 DPP4 (0.45) ACERENKDM4EF2LMNA

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
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-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US 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 (1 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 RAB9A 3583/4885ACE 3384/4885REN 428/4885

“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.