SCHEMBL16616129

SCHEMBL16616129

CC(C)Oc1nc(-c2ccc(F)cc2)c(C2CC2)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
GRIA1 P42261 1/20 0.35
KIT P10721 1/20 0.35
MAPK14 Q16539 2/20 0.34
NAMPT P43490 8/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
POLB P06746 1/20 0.33
IDO1 P14902 3/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
RPS6KA3 P51812 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
SCHEMBL16055868 0.84 ALDH1A1 (0.44) KITMAPK14POLBKMT2A
SCHEMBL16616429 0.79 NPC1 (0.41) NAMPTABL1
SCHEMBL16056132 0.76 SSTR5 (0.42) ABL1
SCHEMBL16616131 0.75 ALOX5AP (0.33) DHODHTMEM97IDO1
SCHEMBL16616530 0.74 SSTR5 (0.35) DHODHTMEM97IDO1
SCHEMBL16055452 0.69 DRD2 (0.34) IDO1KMT2AABL1
Formic Acid SCHEMBL28988557 0.69 NTRK1 (0.37) DHODHKITCSNK1A1CSNK1DRPS6KA3
SCHEMBL16056191 0.68 ALDH1A1 (0.36) KMT2A
SCHEMBL19308793 0.68 ALDH1A1 (0.47) MAPK14NAMPTPOLBKMT2A
SCHEMBL16616226 0.67 GRM2 (0.35) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
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-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP 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-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 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 DHODH 3605/4885TMEM97 1738/4885GRIA1 960/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 DHODH 3622/4885TMEM97 1743/4885GRIA1 1009/4885
US-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 DHODH 3683/4885TMEM97 1796/4885GRIA1 947/4885

“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.