SCHEMBL17535933

SCHEMBL17535933

COc1c(C=O)cc(C2CC2)c(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.42
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
ERN1 O75460 3/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPK10 P53779 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL16056281 0.89 ALOX5AP (0.36) SSTR5ALDH1A1MAPTCNR1CNR2
SCHEMBL17535719 0.88 SSTR5 (0.44) SSTR5ALDH1A1MAPT
SCHEMBL16616530 0.88 SSTR5 (0.35) SSTR5ERN1ALOX5APFEN1
SCHEMBL16616396 0.84 ALOX5AP (0.35) SSTR5ERN1ALOX5APFEN1
SCHEMBL17535715 0.80 SSTR5 (0.44) SSTR5ALDH1A1CNR1CNR2SLC6A4
SCHEMBL17535465 0.79 SSTR5 (0.49) SSTR5CNR1CNR2ALOX5APFEN1
SCHEMBL16055896 0.78 SSTR5 (0.38) SSTR5ALDH1A1MAPT
SCHEMBL16616131 0.78 ALOX5AP (0.33) ALDH1A1MAPTERN1ALOX5APFEN1
SCHEMBL17535784 0.77 SSTR5 (0.43) SSTR5ALDH1A1MAPT
SCHEMBL17535516 0.77 ERN1 (0.33) ALDH1A1ERN1

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 1/4885ALDH1A1 2449/4885MAPT 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.