SCHEMBL16616031

SCHEMBL16616031

COC(=O)c1cc(C2CC2)c(-c2ccc(F)cc2F)c(Cl)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
ATM Q13315 1/20 0.39
MAPK14 Q16539 1/20 0.38
ACLY P53396 1/20 0.37
SLC6A3 Q01959 5/20 0.37
PDK2 Q15119 1/20 0.36
CHRM3 P20309 1/20 0.36
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 2/20 0.34
SSTR5 P35346 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM2 Q14416 1/20 0.34
TTR P02766 1/20 0.34
SCN9A Q15858 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
SCHEMBL16616143 0.88 ALPL (0.39) ALPLATMMAPK14SLC6A3PDK2
SCHEMBL17535817 0.85 SLC6A3 (0.44) SLC6A3PDK2SLC6A4SSTR5CYP11B1
SCHEMBL16670174 0.84 ALPL (0.36) ALPLATMMAPK14SLC6A3PDK2
SCHEMBL17535469 0.84 SSTR5 (0.37) ALPLATMMAPK14SLC6A3PDK2
SCHEMBL16616296 0.79 ALPL (0.43) ALPLATMMAPK14SLC6A3PDK2
SCHEMBL17535656 0.74 PDK2 (0.38) ATMSLC6A3PDK2MAPTSLC6A4
SCHEMBL16055659 0.74 SLC6A3 (0.44) SLC6A3PDK2SLC6A4CYP11B1CYP11B2
SCHEMBL17536007 0.74 SLC6A3 (0.44) SLC6A3PDK2SLC6A4CYP11B1CYP11B2
SCHEMBL16616396 0.73 ALOX5AP (0.35) MAPK14SSTR5GRM2
SCHEMBL17535715 0.73 SSTR5 (0.44) SLC6A3SLC6A4SSTR5

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 ALPL 3620/4885ATM 2884/4885MAPK14 352/4885
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 ALPL 3692/4885ATM 3352/4885MAPK14 544/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 ALPL 3639/4885ATM 2834/4885MAPK14 395/4885

“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.