SCHEMBL8864150

SCHEMBL8864150

O=CC1CCc2cc(Br)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PBRM1 Q86U86 1/20 0.36
SRD5A1 P18405 2/20 0.34
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
KCNE1 P15382 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL29056083 0.84 ESR1 (0.36) ESR1ESR2PBRM1SRD5A1MLNR
SCHEMBL27849144 0.81 ESR1 (0.56) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL10510209 0.81 CYP4F2 (0.36) ESR1ESR2SRD5A1MLNRADRB2
SCHEMBL6846721 0.81 HTR1A (0.51) ESR1ESR2SRD5A1MLNRADRB2
SCHEMBL1734551 0.81 HTR1A (0.51) ESR1ESR2SRD5A1MLNRADRB2
SCHEMBL12435372 0.81 HTR1A (0.51) ESR1ESR2SRD5A1MLNRADRB2
SCHEMBL1734549 0.81 HTR1A (0.51) ESR1ESR2SRD5A1MLNRADRB2
SCHEMBL22613778 0.81 ESR1 (0.39) ESR1ESR2SRD5A1MLNRADRB2
SCHEMBL10510220 0.78 DRD2 (0.37) ESR1ESR2MLNRADRB2ADRB1
SCHEMBL10506849 0.77 DRD2 (0.43) SRD5A1DRD2DRD3HRH3AR

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
CN-111201021-B Chroman monocyclic beta-lactams for the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 CN disclosed
CN-118496221-A Chroman monocyclic beta-lactams for the treatment of bacterial infections 默沙东有限责任公司 2024-08-16 CN disclosed
EP-3691639-B1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2022-09-06 US disclosed
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-09-24 US disclosed
EP-3691639-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2020-08-12 EP disclosed
CN-111201021-A Chroman monocyclic β -lactams for use in the treatment of bacterial infections 默沙东公司 2020-05-26 CN disclosed
WO-2019070492-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-04-11 WO disclosed
US-5703115-A VASOCONSTRICTORS JANSSEN PHARMACEUTICA, N.V. (BE) 1997-12-30 US disclosed
US-5688952-A VASOCONSTRICTOR INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-18 US disclosed
US-5624952-A VASOCONSTRICTORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-29 US disclosed
US-5607949-A VASOCONTRICTORS, TREATING MIGRAIN JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed
US-5541180-A HEADACHE THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-30 US disclosed
EP-0639192-B1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA NV (BE) 1996-05-15 EP disclosed
EP-0639192-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS. JANSSEN PHARMACEUTICA NV (BE) 1995-02-22 EP disclosed
CN-1079470-A [(benzo two  alkane, cumarone or chromene) alkylamino] alkyl substituted guanidines JANSSEN PHARMACEUTICA NV (BE) 1993-12-15 CN disclosed
WO-1993017017-A1 [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-02 WO disclosed
EP-0145067-B1 DERIVATIVES OF 2,2'-IMINOBISETHANOL JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP disclosed
US-4654362-A CARDIOVASCULAR DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-03-31 US disclosed
EP-0145067-A2 Derivatives of 2,2'-iminobisethanol JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 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 (2 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-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, CMBL ESR1 2684/4885ESR2 3702/4885PBRM1 54/4885
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, CMBL ESR1 2789/4885ESR2 3722/4885PBRM1 70/4885

“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.