SCHEMBL16616108

SCHEMBL16616108

CC1(C)OC(=O)c2cc(Br)c(OCc3ccccc3)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
PTPN1 P18031 3/20 0.42
SIRT1 Q96EB6 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.38
MAPK14 Q16539 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
SCHEMBL2494139 0.78 MAOB (0.57) MAOBRAB9ASMN1; SMN2
SCHEMBL2761859 0.78 MAOB (0.67) MAOBRAB9ASMN1; SMN2
SCHEMBL2761640 0.74 L3MBTL1 (0.47) MAOBL3MBTL1
SCHEMBL2762001 0.74 PRKCA (0.49) MAOBL3MBTL1
SCHEMBL31091551 0.74 PRKCA (0.49) MAOBL3MBTL1
SCHEMBL31013857 0.73 MAOB (0.41) MAOBHTR2AL3MBTL1MAPK14
SCHEMBL15356467 0.73 CETP (0.41) MAOBSMN1; SMN2L3MBTL1MAPK14
SCHEMBL31014009 0.72 L3MBTL1 (0.46) MAOBL3MBTL1
SCHEMBL20982537 0.72 HTR2A (0.52) MAOBPTPN1HTR2AHTR2CRAB9A
SCHEMBL15348536 0.72 TDP1 (0.51) MAOBL3MBTL1ABCB1

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 MAOB 1760/4885PTPN1 674/4885SIRT1 385/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 MAOB 1610/4885PTPN1 643/4885SIRT1 380/4885

“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.