SCHEMBL17535784

SCHEMBL17535784

CCOc1c(C=O)cc(C2CC2)c(-c2ccc(F)cc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.43
KCNH2 Q12809 5/20 0.38
SSTR3 P32745 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TRPC3 Q13507 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL16055896 0.89 SSTR5 (0.38) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL17535376 0.87 SSTR5 (0.37) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL17535719 0.87 SSTR5 (0.44) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL17535954 0.87 SSTR5 (0.37) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL17535548 0.84 KDM4E (0.39) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL17535520 0.79 SSTR5 (0.45) SSTR5KCNH2MAPTKDM4ELMNA
SCHEMBL16056281 0.78 ALOX5AP (0.36) SSTR5ALDH1A1MAPTPTGDRPTGDR2
SCHEMBL16616618 0.77 AR (0.33) KCNH2ALDH1A1PTGDR2AR
SCHEMBL17535933 0.77 SSTR5 (0.42) SSTR5ALDH1A1MAPT
SCHEMBL16055280 0.77 SSTR5 (0.40) SSTR5KCNH2SSTR3ALDH1A1MAPT

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 SSTR5 1/4885KCNH2 2112/4885SSTR3 5/4885

“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.