SCHEMBL16669685

SCHEMBL16669685

CCc1c(C(=O)O)ccn(C2CCN(Cc3cc(C4CC4)c(-c4ccc(F)cc4F)c(F)c3OC(C)C)CC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 1/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
GAA P10253 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
SCHEMBL16669838 0.93 ALDH1A1 (0.34) SSTR5ALDH1A1TDP1S1PR1HTR2A
SCHEMBL16670207 0.92 SSTR5 (0.38) SSTR5ALDH1A1TDP1KCNH2GAA
SCHEMBL16670368 0.91 SSTR5 (0.38) SSTR5S1PR1HTR2AHTR7KCNH2
SCHEMBL16669901 0.88 SSTR5 (0.43) SSTR5ALDH1A1TDP1S1PR1HTR2A
SCHEMBL16670270 0.87 SSTR5 (0.32) SSTR5ALDH1A1TDP1S1PR1HTR2A
SCHEMBL16670345 0.86 SSTR5 (0.42) SSTR5ALDH1A1TDP1S1PR1HTR2A
SCHEMBL16670191 0.86 SSTR5 (0.42) SSTR5S1PR1HTR2AHTR7KCNH2
SCHEMBL16669854 0.85 ALDH1A1 (0.36) SSTR5ALDH1A1TDP1HTR2AGAA
SCHEMBL16670278 0.84 SSTR5 (0.36) SSTR5S1PR1HTR2AHTR7KCNH2
SCHEMBL16670469 0.83 SSTR5 (0.34) SSTR5ALDH1A1TDP1S1PR1HTR2A

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 9 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
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US 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
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US 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 SSTR5 1/4885ALDH1A1 3306/4885TDP1 4609/4885

“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.