SCHEMBL17535592

SCHEMBL17535592

CCOc1cc(C=O)cc(OCC)c1C1CCN(CC(F)(F)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4D Q08499 2/20 0.32
TACR2 P21452 1/20 0.32
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPT P10636 1/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL16056333 0.81 FDFT1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL2962020 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1PDE4DTACR2
SCHEMBL16055692 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1TACR2KMT2A
SCHEMBL16056336 0.76 HRH2 (0.35) KDM4EOPRM1
SCHEMBL17535561 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1TACR2KMT2A
SCHEMBL16056078 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1TACR2KMT2A
SCHEMBL16616028 0.69 POLB (0.43) ALDH1A1KDM4EL3MBTL1TACR2KMT2A
SCHEMBL24346128 0.66 FDPS (0.36) ALDH1A1KDM4ECHRM4CHRM1CHRM2
SCHEMBL16056251 0.65 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1POLBMAPT
SCHEMBL1121407 0.64 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1TACR2KMT2A

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 3566/4885L3MBTL1 4438/4885

“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.