SCHEMBL16670343

SCHEMBL16670343

O=C(O)N1CCC(n2ccc(OCc3ccccc3)cc2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
MCHR1 Q99705 13/20 0.47
KCNH2 Q12809 4/20 0.45
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL16670428 0.86 YAP1 (0.53) MAPK14MCHR1
SCHEMBL6043950 0.84 MAPK14 (0.48) MAPK14MCHR1KCNH2
SCHEMBL6042068 0.84 MAPK14 (0.48) MAPK14MCHR1KCNH2
SCHEMBL16669951 0.77 MAPK14 (0.52) MAPK14ALDH1A1
SCHEMBL5862299 0.77 MAPK14 (0.52) MAPK14ALDH1A1
SCHEMBL6041786 0.76 MCHR1 (0.41) MAPK14MCHR1KCNH2
SCHEMBL6043024 0.76 MCHR1 (0.41) MAPK14MCHR1KCNH2
SCHEMBL5429002 0.75 KDM5A (0.47) ALDH1A1
SCHEMBL30031731 0.75 SMN1; SMN2 (0.56) HRH3
SCHEMBL6470884 0.75 MAPK14 (0.54) MAPK14MCHR1KCNH2

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
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
EP-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 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 (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-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 MAPK14 333/4885MCHR1 96/4885KCNH2 2199/4885

“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.