SCHEMBL1531347

SCHEMBL1531347

COc1cc(N)ccc1OCCNC(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
FDPS P14324 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1531286 0.85 ALDH1A1 (0.54) KDM4EMAPTGAAMTNR1AMTNR1B
SCHEMBL1531272 0.85 CA12 (0.50) KDM4EMAPTGAAMTNR1AMTNR1B
SCHEMBL1531271 0.80 MEN1 (0.53) KDM4EMAPTGAAALDH1A1NPC1
SCHEMBL443057 0.80 MTNR1A (0.51) KDM4EMAPTGAAMTNR1AMTNR1B
SCHEMBL7449161 0.80 CA12 (0.50) KDM4EGAAMTNR1AMTNR1BALDH1A1
SCHEMBL1667842 0.78 BCHE (0.44) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL1669867 0.78 KDM4E (0.53) KDM4EMAPTGAAMTNR1AMTNR1B
SCHEMBL22171138 0.77 MAPT (0.60) KDM4EMAPTGAAALDH1A1L3MBTL1
SCHEMBL3020849 0.76 CA12 (0.51)
SCHEMBL1928493 0.75 GAA (0.57) KDM4EMAPTGAAALDH1A1FDPS

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
US-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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 (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-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R KDM4E 2607/4885MAPT 1990/4885GAA 554/4885

“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.