SCHEMBL16616016

SCHEMBL16616016

O=C(O)c1cc(C(=O)O)c(C2CC2)nc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.46
BAK1 Q16611 1/20 0.46
CNR2 P34972 4/20 0.43
CNR1 P21554 4/20 0.43
FOLH1 Q04609 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
SLC16A3 O15427 1/20 0.40
PPARG P37231 1/20 0.40
NR4A2 P43354 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
PRMT5 O14744 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16616165 0.86 CNR1 (0.51) MCL1BAK1CNR2CNR1MEN1
SCHEMBL16616758 0.78 MCL1 (0.55) MCL1BAK1FOLH1MEN1KMT2A
SCHEMBL16616128 0.76 MCL1 (0.50) MCL1BAK1CNR1FOLH1MEN1
SCHEMBL12076414 0.75 CTSV (0.51) MCL1BAK1FOLH1MRGPRX4MEN1
SCHEMBL16616669 0.74 MCL1 (0.48) MCL1BAK1CNR1FOLH1MEN1
SCHEMBL31159061 0.72 MCL1 (0.64) MCL1BAK1FOLH1MEN1KMT2A
SCHEMBL31727623 0.72 MCL1 (0.64) MCL1BAK1FOLH1MEN1KMT2A
SCHEMBL21331681 0.71 MCL1 (0.59) MCL1BAK1CNR1FOLH1MEN1
SCHEMBL17674483 0.70 PIN1 (0.59) MCL1BAK1CNR1FOLH1MEN1
SCHEMBL18584645 0.70 FOLH1 (0.49) MCL1BAK1FOLH1MEN1KMT2A

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 7 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-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
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 (2 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 MCL1 4200/4885BAK1 1379/4885CNR2 158/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 MCL1 4034/4885BAK1 1465/4885CNR2 159/4885

“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.