SCHEMBL17535744

SCHEMBL17535744

CCOc1cc(N2CCC(F)(F)CC2)c(C2CC2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 1/20 0.34
FFAR4 Q5NUL3 4/20 0.33
SCN9A Q15858 4/20 0.33
SCN5A Q14524 2/20 0.32
GAA P10253 1/20 0.32
SSTR5 P35346 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL17535348 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL17535589 0.86 POLB (0.37) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL17535872 0.85 ALDH1A1 (0.38) ALDH1A1MAPTCNR2FFAR4SSTR5
SCHEMBL17535682 0.81 SCN9A (0.40) LMNAFFAR4SCN9ASCN5A
SCHEMBL17535547 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL17535766 0.79 SCN9A (0.41) ALDH1A1MAPTSCN9ASCN5A
SCHEMBL16056064 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL17535417 0.77 SSTR5 (0.33) SSTR5
SCHEMBL16056393 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL17535836 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPOLBLMNA

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 ALDH1A1 2449/4885KDM4E 3566/4885MAPT 3594/4885

“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.