SCHEMBL16616262

SCHEMBL16616262

COC(=O)c1cc(Br)c(-c2ccc(F)cc2)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.50
SLC6A4 P31645 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
IKBKB O14920 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
GCGR P47871 1/20 0.37

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
SCHEMBL16624251 0.88 SLC6A3 (0.39) SLC6A3SLC6A4SOS1MAPT
SCHEMBL16616060 0.85 ALPL (0.42) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A
SCHEMBL16616252 0.82 SLC6A3 (0.50) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A
SCHEMBL16056201 0.80 SLC6A3 (0.56) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A
SCHEMBL16616325 0.80 SLC6A4 (0.52) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A
SCHEMBL24515856 0.80 SOS1 (0.43) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL16624224 0.78 SLC6A4 (0.51) SLC6A3SLC6A4NPC1ALDH1A1L3MBTL1
SCHEMBL25793610 0.77 FFAR4 (0.50) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A
SCHEMBL16056002 0.76 LCK (0.49) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A
SCHEMBL16616287 0.76 NPC1 (0.44) SLC6A3SLC6A4SMN1; SMN2NPC1RAB9A

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 SLC6A3 249/4885SLC6A4 145/4885SMN1; SMN2 3516/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 SLC6A3 233/4885SLC6A4 139/4885SMN1; SMN2 3405/4885
US-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 SLC6A3 254/4885SLC6A4 144/4885SMN1; SMN2 3372/4885

“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.