SCHEMBL17535665

SCHEMBL17535665

CCOCCOc1cc(C=O)cc(C2CC2)c1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SSTR5 P35346 10/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KCNH2 Q12809 3/20 0.36
SSTR3 P32745 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HRH2 P25021 2/20 0.35
FDPS P14324 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL16055944 0.90 HTR2C (0.37) HTR2AHTR2CHTR2BSSTR5PTGDR
SCHEMBL16055990 0.90 SSTR5 (0.43) SSTR5KCNH2SSTR3ALDH1A1
SCHEMBL16056646 0.89 FDPS (0.39) HTR2ASSTR5PTGDRPTGDR2KCNH2
SCHEMBL16056408 0.86 SSTR5 (0.42) SSTR5PTGDRPTGDR2KCNH2SSTR3
SCHEMBL17535661 0.86 ALDH1A1 (0.36) SSTR5PTGDRPTGDR2KCNH2SSTR3
SCHEMBL17535913 0.83 PTGDR2 (0.35) SSTR5PTGDRPTGDR2KCNH2SSTR3
SCHEMBL17535480 0.83 PTGDR2 (0.36) SSTR5PTGDRPTGDR2KCNH2SSTR3
SCHEMBL17535452 0.83 MCHR1 (0.38) SSTR5PTGDRPTGDR2KCNH2ALDH1A1
SCHEMBL16056596 0.82 SSTR5 (0.39) HTR2AHTR2CHTR2BSSTR5PTGDR
SCHEMBL18832572 0.81 PTGDR (0.35) SSTR5PTGDRPTGDR2KCNH2SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 HTR2A 192/4885HTR2C 139/4885HTR2B 178/4885

“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.