SCHEMBL3078951

SCHEMBL3078951

COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
STS P08842 2/20 0.52
GPR119 Q8TDV5 1/20 0.51
PDE4B Q07343 2/20 0.49
MMP1 P03956 5/20 0.48
MMP9 P14780 5/20 0.48
MMP3 P08254 4/20 0.48
MMP7 P09237 4/20 0.48
HTT P42858 1/20 0.48
BACE1 P56817 2/20 0.47
CTSD P07339 1/20 0.47
CTSE P14091 1/20 0.47
MMP13 P45452 4/20 0.47
SRC P12931 1/20 0.46
MMP8 P22894 3/20 0.45
MMP2 P08253 2/20 0.45
EPHX2 P34913 1/20 0.44
USP7 Q93009 1/20 0.44

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
SCHEMBL8194766 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASTSGPR119
SCHEMBL31510737 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASTSGPR119
SCHEMBL16874620 0.88 KDM1A (0.50) ALDH1A1MEN1KMT2ASTSGPR119
SCHEMBL16874622 0.88 KDM1A (0.50) ALDH1A1MEN1KMT2ASTSGPR119
SCHEMBL4602756 0.88 PDE4B (0.46) ALDH1A1KMT2ASTSGPR119PDE4B
SCHEMBL3062563 0.88 PDE4B (0.46) ALDH1A1KMT2ASTSGPR119PDE4B
SCHEMBL26808070 0.88 GPR119 (0.55) KMT2AGPR119PDE4BMMP13
SCHEMBL16874803 0.88 PDE4B (0.46) ALDH1A1KMT2ASTSGPR119PDE4B
SCHEMBL24244951 0.87 PDE4B (0.46) ALDH1A1KMT2AGPR119PDE4B
SCHEMBL3069366 0.87 PDE4B (0.46) ALDH1A1KMT2AGPR119PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
EP-3092224-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-22 EP disclosed
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20180000807-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
EP-3092224-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2016-11-16 EP disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (11 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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885MEN1 2817/4885KMT2A 3839/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885MEN1 2817/4885KMT2A 3839/4885
US-20180000807-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885MEN1 4538/4885KMT2A 2824/4885

“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.