SCHEMBL17535348

SCHEMBL17535348

COc1cc(N2CCC(F)(F)CC2)c(C2CC2)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 4/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A3 P47895 1/20 0.36
WHR1 P49842 4/20 0.35
ESR1 P03372 1/20 0.35
HTR1A P08908 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 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
SCHEMBL17535547 0.93 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL17535872 0.88 ALDH1A1 (0.38) ALDH1A1MAPTFFAR4CNR2
SCHEMBL17535744 0.87 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EGAAFFAR4
SCHEMBL17535836 0.86 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL17535829 0.85 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL17535534 0.79 SCN9A (0.40) GAAFFAR4WHR1
SCHEMBL17535504 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL17535615 0.76 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2FFAR4
SCHEMBL17535589 0.75 POLB (0.37) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL16056155 0.74 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ETSHRTDP1

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 2449/4885MAPT 3594/4885KDM4E 3566/4885

“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.