SCHEMBL16874571

SCHEMBL16874571

COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
STS P08842 2/20 0.53
BACE1 P56817 2/20 0.51
CTSD P07339 1/20 0.51
CTSE P14091 1/20 0.51
GPR119 Q8TDV5 2/20 0.49
HTT P42858 1/20 0.47
MMP1 P03956 5/20 0.46
MMP9 P14780 5/20 0.46
MMP3 P08254 4/20 0.46
MMP7 P09237 4/20 0.46
MMP13 P45452 4/20 0.46
MMP8 P22894 3/20 0.46
MMP2 P08253 2/20 0.46
EPHX2 P34913 1/20 0.45
TGFBR1 P36897 1/20 0.43
PDE4B Q07343 1/20 0.43
MAPT P10636 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
SCHEMBL16874573 1.00 ALDH1A1 (0.55) ALDH1A1STSBACE1CTSDCTSE
SCHEMBL16611368 0.88 RORC (0.43) STSGPR119TGFBR1
SCHEMBL30726423 0.87 RORC (0.55) STSGPR119
SCHEMBL35211565 0.87 STS (0.52) STSGPR119
SCHEMBL23291509 0.87 RORC (0.55) STSGPR119
SCHEMBL23538696 0.87 ALDH1A1 (0.44) ALDH1A1STSBACE1CTSDCTSE
SCHEMBL16611357 0.87 CA12 (0.44) ALDH1A1STSGPR119
SCHEMBL16267825 0.87 STS (0.49) ALDH1A1STSBACE1CTSDCTSE
SCHEMBL22551229 0.86 KMT2A (0.43) ALDH1A1STSGPR119PDE4BMAPT
SCHEMBL31702241 0.85 PTPN2 (0.47) ALDH1A1STSGPR119HTTMAPT

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 19 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
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 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
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-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
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
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-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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 (10 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-20180000807-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885STS 1915/4885BACE1 1128/4885

“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.