SCHEMBL1531406

SCHEMBL1531406

COC(=O)CCc1ccc(N)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.49
CYP19A1 P11511 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALOX5 P09917 1/20 0.40
OR51E2 Q9H255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8550870 0.88 ADRA1A (0.45) GAAMAPTTSHRMAPK1HTT
SCHEMBL12426803 0.87 GAA (0.53) GAAMAPTTSHRMAPK1HTT
SCHEMBL14931999 0.86 GAA (0.59) GAAMAPTTSHRMAPK1HTT
SCHEMBL1624350 0.84 GAA (0.61) GAAMAPTTSHRMAPK1HTT
SCHEMBL2131234 0.84 TKT (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL1014516 0.83 NPSR1 (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL435484 0.83 F2 (0.49)
SCHEMBL585472 0.83 APLNR (0.56) ALDH1A1NPC1RAB9A
SCHEMBL19006513 0.83 MAPT (0.50) GAAMAPTHTTALDH1A1PDE4D
SCHEMBL20561977 0.81 EGFR (0.46) GAAMAPTMAPK1ALDH1A1SMN1; SMN2

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 9 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-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 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
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
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 GAA 554/4885MAPT 1990/4885TSHR 44/4885

“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.