SCHEMBL1722181

SCHEMBL1722181

COc1cc(Br)ccc1OCC(=O)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
GSK3B P49841 1/20 0.47
HTT P42858 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
PTGDR Q13258 1/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.43
CCR5 P51681 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4009680 0.80 PTGDR2 (0.65) HTTPTGDR2PTGDRKMT2AMEN1
SCHEMBL21198233 0.79 APP (0.53) HTTPTGDR2KMT2AMEN1KDM4E
SCHEMBL16563675 0.79 SNCA (0.58) HTTPTGDR2KMT2AMEN1SMN1; SMN2
SCHEMBL1578893 0.79 KMT2A (0.50) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL31681587 0.77 POLB (0.54) HTTPTGDR2KMT2AMEN1SMN1; SMN2
SCHEMBL5106323 0.75 ALDH1A1 (0.65) HTTPTGDR2KMT2AMEN1SMN1; SMN2
SCHEMBL28901969 0.75 PDE4B (0.51) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL24934111 0.74 MTNR1A (0.50) NPC1RAB9AHTTPTGDR2KMT2A
SCHEMBL1721863 0.74 KMT2A (0.49) HTTPTGDR2KMT2AMEN1TSHR
SCHEMBL16294073 0.74 PTGDR2 (0.65) PTGDR2PTGDRKMT2AMEN1SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406233-B1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-11-13 EP disclosed
EP-2406233-B1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-11-13 EP disclosed
EP-2558094-A1 PYRIDONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2013-02-20 EP disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
EP-2406233-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2012-01-18 EP disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011130086-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011130086-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 WO disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 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 (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-20120316200-A1 PYRIDONE DERIVATIVES MC1R, MC5R, MCHR1 NPC1 3104/4885RAB9A 3460/4885GSK3B 1209/4885
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R NPC1 2759/4885RAB9A 2678/4885GSK3B 2463/4885

“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.