SCHEMBL16616059

SCHEMBL16616059

CCOc1cc(C=O)cc(C2CC2)c1-c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TACR2 P21452 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
SSTR5 P35346 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.34
SSTR3 P32745 1/20 0.34
BRAF P15056 1/20 0.33
FGFR2 P21802 1/20 0.33

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
SCHEMBL16055990 0.88 SSTR5 (0.43) ALDH1A1SSTR5KCNH2SSTR3
SCHEMBL16056566 0.86 ALDH1A1 (0.48) ALDH1A1TACR2LMNAHPGDHSD17B10
SCHEMBL16056408 0.85 SSTR5 (0.42) ALDH1A1SSTR5KCNH2SSTR3
SCHEMBL17535665 0.81 HTR2A (0.37) ALDH1A1HPGDMAPTSSTR5KCNH2
SCHEMBL16616075 0.81 ALDH1A1 (0.39) ALDH1A1TACR2HPGDKDM4ESSTR5
SCHEMBL16055944 0.79 HTR2C (0.37) ALDH1A1MAPTSSTR5L3MBTL1KCNH2
SCHEMBL17535475 0.77 SSTR5 (0.40) ALDH1A1SSTR5KCNH2SSTR3
SCHEMBL16616323 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHPGDTSHRHSD17B10
SCHEMBL17535480 0.77 PTGDR2 (0.36) ALDH1A1HPGDMAPTSSTR5KCNH2
SCHEMBL16056646 0.76 FDPS (0.39) ALDH1A1LMNAHPGDMAPTHTT

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 18 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
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US 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
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 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-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US 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
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 US 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 ALDH1A1 3197/4885TACR2 43/4885LMNA 3973/4885
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 ALDH1A1 2449/4885TACR2 40/4885LMNA 4589/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 ALDH1A1 3012/4885TACR2 44/4885LMNA 3806/4885

“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.