SCHEMBL2599686

SCHEMBL2599686

COC(=O)c1nn(C(C)C)c2cccc(-c3ccc(F)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
SSTR5 P35346 1/20 0.46
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MET P08581 1/20 0.39
GCGR P47871 1/20 0.38
IKBKB O14920 1/20 0.38
PTGS1 P23219 1/20 0.37
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12182195 0.82 SSTR5 (0.49) SLC6A3SLC6A4SSTR5METGCGR
SCHEMBL2600883 0.78 KDM4E (0.40) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL29614427 0.78 KDM4E (0.40) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL2599776 0.76 SSTR5 (0.40) SSTR5METPOLBKMT2APTGS2
SCHEMBL15687317 0.73 KMT2A (0.40) SLC6A3SLC6A4KDM4EHSD17B10POLB
SCHEMBL2260267 0.72 ELANE (0.59) KDM4EHSD17B10POLBTSHRCYP3A4
SCHEMBL31699719 0.70 RET (0.36) KDM4EL3MBTL1HSD17B10POLBTSHR
SCHEMBL22776473 0.70 KDM4E (0.36) KDM4EL3MBTL1MEN1KMT2A
SCHEMBL31700129 0.69 HPGD (0.39) KDM4EL3MBTL1HSD17B10POLBTSHR
SCHEMBL30315729 0.69 L3MBTL1 (0.43) SLC6A3SLC6A4KDM4EL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO 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 (1 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 SLC6A3 324/4885SLC6A4 244/4885SSTR5 1/4885

“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.