SCHEMBL16624241

SCHEMBL16624241

COC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.44
MKNK2 Q9HBH9 7/20 0.44
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADRB3 P13945 6/20 0.40
ADRB1 P08588 5/20 0.40
CHEK1 O14757 1/20 0.39
ERN1 O75460 1/20 0.39
ULK1 O75385 1/20 0.39
TRPV3 Q8NET8 1/20 0.38

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
SCHEMBL16616325 0.87 SLC6A4 (0.52) MKNK1MKNK2SLC6A4SLC6A3ADRB3
SCHEMBL3139236 0.85 CHEK1 (0.51) SLC6A4SLC6A3CHEK1ERN1
SCHEMBL16624251 0.82 SLC6A3 (0.39) SLC6A4SLC6A3TRPV3
SCHEMBL16616086 0.82 SLC6A4 (0.47) MKNK1MKNK2SLC6A4SLC6A3ADRB3
SCHEMBL25793610 0.81 FFAR4 (0.50) MKNK1MKNK2SLC6A4SLC6A3ULK1
SCHEMBL16624260 0.81 TDP1 (0.56) MKNK1MKNK2SLC6A4SLC6A3
SCHEMBL14252247 0.81 SLC6A3 (0.45) SLC6A4SLC6A3ERN1
SCHEMBL21857203 0.77 ABL1 (0.59) SLC6A4SLC6A3ERN1
SCHEMBL2772492 0.76 IDO1 (0.51)
SCHEMBL711452 0.76 CA12 (0.59) ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (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 MKNK1 1161/4885MKNK2 1150/4885SLC6A4 145/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 MKNK1 1194/4885MKNK2 1192/4885SLC6A4 139/4885

“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.