SCHEMBL8564264

SCHEMBL8564264

O=C1C(Br)CCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
CCR3 P51677 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 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
SCHEMBL8564268 1.00 DDB1 (0.50) DDB1CRBNALDH1A1HDAC1HDAC8
SCHEMBL16874753 0.90 L3MBTL1 (0.51) DDB1CRBNALDH1A1HDAC1HDAC8
SCHEMBL1542776 0.85 ALDH1A1 (0.49) ALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL8564961 0.83 ALDH1A1 (0.53) ALDH1A1POLB
SCHEMBL8564966 0.83 ALDH1A1 (0.53) ALDH1A1POLB
SCHEMBL16874550 0.83 KCNH2 (0.51) KMT2AMEN1
SCHEMBL27485081 0.83 PTGS1 (0.46) ALDH1A1HDAC1HDAC8HDAC6L3MBTL1
SCHEMBL16885927 0.82 MEN1 (0.57) ALDH1A1ACHEKMT2APOLBMEN1
SCHEMBL8567054 0.82 ALDH1A1 (0.55) ALDH1A1SIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL8567056 0.82 ALDH1A1 (0.55) ALDH1A1SIGMAR1KMT2ACYP2D6CYP2C9

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 34 patents — showing the first 20. 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-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-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-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-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-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
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-8962810-B2 Macrocyclic heterocyclic compound for inhibiting hepatitis C virus and preparation and use thereof AB Pharma Ltd. (CN) 2015-02-24 US disclosed
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP 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 (6 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-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A DDB1 3142/4885CRBN 1232/4885ALDH1A1 2090/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A DDB1 3142/4885CRBN 1232/4885ALDH1A1 2090/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A DDB1 3142/4885CRBN 1232/4885ALDH1A1 2090/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A DDB1 3142/4885CRBN 1232/4885ALDH1A1 2090/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A DDB1 3142/4885CRBN 1232/4885ALDH1A1 2090/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A DDB1 3142/4885CRBN 1232/4885ALDH1A1 2090/4885

“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.