SCHEMBL16874653

SCHEMBL16874653

O=C(O)N1CC=C(c2ccc(OCc3ccccc3)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
ALOX15 P16050 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ERN1 O75460 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PRMT5 O14744 1/20 0.42
QDPR P09417 2/20 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
SCHEMBL16874820 0.87 GPR119 (0.51) PRMT5LNPEP
SCHEMBL16874625 0.85 LNPEP (0.44) S1PR5ERN1PRMT5HSD17B10LNPEP
SCHEMBL28103951 0.83 MEN1 (0.43) S1PR5MAPTERN1MEN1KMT2A
SCHEMBL16874748 0.83 PRMT5 (0.56) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL28750110 0.83 PTGDR2 (0.48) S1PR5ALDH1A1SMN1; SMN2NPC1ALOX15
SCHEMBL16874745 0.82 QDPR (0.58) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL28750120 0.79 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APRMT5
SCHEMBL31131400 0.77 LNPEP (0.49) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL25929764 0.77 LNPEP (0.49) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL5238577 0.77 GRM5 (0.50) S1PR5ALDH1A1RAB9AMAPTERN1

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 14 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
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

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 S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A S1PR5 862/4885ALDH1A1 2090/4885SMN1; SMN2 322/4885

“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.