SCHEMBL1531316

SCHEMBL1531316

COc1cc(N)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
APP P05067 1/20 0.43
POLB P06746 2/20 0.43
CREBBP Q92793 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SNCA P37840 1/20 0.41
STING1 Q86WV6 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
SCHEMBL8770542 0.93 ALDH1A1 (0.45) GAAMAPTKDM4EMTNR1AMTNR1B
SCHEMBL12144018 0.85 GAA (0.58) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL14220714 0.84 NPC1 (0.52) GAAMAPTKDM4EMTNR1AMTNR1B
SCHEMBL24934111 0.83 MTNR1A (0.50) KDM4EMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL22777269 0.83 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KMT2APOLB
SCHEMBL4855128 0.83 MAPK1 (0.51) GAAMAPTKDM4EMTNR1AMTNR1B
SCHEMBL8770380 0.83 AAK1 (0.40) MAPTKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL13623313 0.83 MAPK1 (0.40) MAPTKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL24933573 0.82 TSHR (0.62) MTNR1AMTNR1BKMT2AMEN1MAPK1
SCHEMBL15542418 0.82 KMT2A (0.67) MTNR1AMTNR1BALDH1A1KMT2AMEN1

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 11 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-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-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 1990/4885KDM4E 2607/4885

“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.