SCHEMBL1237798

SCHEMBL1237798

C[C@@H](c1ccc(F)cc1)N1CCC(Br)C1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.47
OPRM1 P35372 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4294143 0.91 HSD11B1 (0.45) HSD11B1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL4298912 0.91 HSD11B1 (0.45) HSD11B1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL16885919 0.84 KMT2A (0.49) HSD11B1OPRM1
SCHEMBL16885918 0.84 KMT2A (0.49) HSD11B1OPRM1
SCHEMBL2824898 0.77 HSD11B1 (0.46) HSD11B1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL4304050 0.77 HSD11B1 (0.45) HSD11B1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL8038060 0.77 HSD11B1 (0.51) HSD11B1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL4100291 0.77 HSD11B1 (0.45) HSD11B1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL4296589 0.73 HSD11B1 (0.46) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL8030808 0.73 HSD11B1 (0.46) HSD11B1CYP3A4CYP2C9CYP2C19

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 43 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-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
CN-101723900-A Cinnamide compounds EISAI R&D MAN CO LTD 2010-06-09 CN disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
CN-1972916-A Cinnamide compounds EISAI R&D MAN CO LTD (JP) 2007-05-30 CN disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 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 (8 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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 HSD11B1 415/4885OPRM1 3091/4885CYP3A4 3294/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HSD11B1 2792/4885OPRM1 57/4885CYP3A4 3879/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HSD11B1 2792/4885OPRM1 57/4885CYP3A4 3879/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 HSD11B1 524/4885OPRM1 441/4885CYP3A4 212/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HSD11B1 2792/4885OPRM1 57/4885CYP3A4 3879/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HSD11B1 2792/4885OPRM1 57/4885CYP3A4 3879/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 HSD11B1 1301/4885OPRM1 3707/4885CYP3A4 3718/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A HSD11B1 2792/4885OPRM1 57/4885CYP3A4 3879/4885

“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.