SCHEMBL16616334

SCHEMBL16616334

CCOc1c(C=O)cc(C2CC2)c(-c2ccc(F)cc2F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.35
GRM2 Q14416 4/20 0.35
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AR P10275 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CTSD P07339 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTR6 P50406 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCRTR2 O43614 1/20 0.31
ERN1 O75460 1/20 0.30
IDO1 P14902 1/20 0.30
BRD4 O60885 1/20 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
SCHEMBL16616618 0.89 AR (0.33) ALOX5APFEN1ARPTGS1PTGS2
SCHEMBL16616396 0.89 ALOX5AP (0.35) SSTR5GRM2ALOX5APFEN1AR
SCHEMBL17535719 0.86 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL16670157 0.85 GRM2 (0.34) SSTR5GRM2ALOX5APFEN1KCNH2
SCHEMBL17535984 0.82 SSTR5 (0.40) SSTR5GRM2ALOX5APFEN1PTGS1
SCHEMBL17535469 0.81 SSTR5 (0.37) SSTR5GRM2ALOX5APFEN1PTGS1
SCHEMBL16616214 0.79 ALOX5AP (0.38) ALOX5APFEN1ARERN1
SCHEMBL16616393 0.78 ALDH1A1 (0.39) SSTR5PTGS1PTGS2CYP11B1CYP11B2
SCHEMBL16616075 0.77 ALDH1A1 (0.39) SSTR5ARPTGS1PTGS2CYP11B1
SCHEMBL16055896 0.77 SSTR5 (0.38) SSTR5KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
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-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
EP-3055309-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) Takeda Pharmaceutical Company Limited (JP) 2016-08-17 EP disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US disclosed
WO-2015052910-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 WO disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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 (3 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 SSTR5 1/4885GRM2 1198/4885ALOX5AP 1142/4885
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 SSTR5 1/4885GRM2 420/4885ALOX5AP 2601/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 SSTR5 1/4885GRM2 1178/4885ALOX5AP 1085/4885

“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.