SCHEMBL17535548

SCHEMBL17535548

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
SSTR5 P35346 9/20 0.36
KCNH2 Q12809 3/20 0.36
SSTR3 P32745 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
PDE10A Q9Y233 3/20 0.33
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RET P07949 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 0.85 SSTR5 (0.38) KDM4EHTTSSTR5KCNH2SSTR3
SCHEMBL17535784 0.84 SSTR5 (0.43) KDM4EHTTSSTR5KCNH2SSTR3
SCHEMBL17535954 0.84 SSTR5 (0.37) KDM4EHTTSSTR5KCNH2SSTR3
SCHEMBL17535719 0.84 SSTR5 (0.44) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL17535376 0.84 SSTR5 (0.37) KDM4EHTTSSTR5KCNH2SSTR3
SCHEMBL16056281 0.75 ALOX5AP (0.36) SSTR5ALDH1A1MAPT
SCHEMBL16616618 0.74 AR (0.33) KCNH2ALDH1A1
SCHEMBL17535933 0.74 SSTR5 (0.42) SSTR5ALDH1A1MAPT
SCHEMBL16055280 0.73 SSTR5 (0.40) SSTR5KCNH2SSTR3ALDH1A1MAPT
SCHEMBL16055272 0.73 MAPT (0.36) KDM4EHTTNPSR1L3MBTL1SSTR5

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 KDM4E 3566/4885HTT 1278/4885NPSR1 19/4885

“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.