Bromide

Bromide

SCHEMBL16178917

Br.CC[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 known ✓ P49768 1/20 0.50
PSEN2 known ✓ P49810 1/20 0.50
APH1B known ✓ Q8WW43 1/20 0.50
NCSTN known ✓ Q92542 1/20 0.50
APH1A known ✓ Q96BI3 1/20 0.50
PSENEN known ✓ Q9NZ42 1/20 0.50
GRIN2A known ✓ Q12879 1/20 0.40
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
CYP19A1 P11511 1/20 0.51
GPBAR1 Q8TDU6 3/20 0.50
LMNA P02545 3/20 0.50
EPHA2 P29317 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
EFNA1 P20827 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Bromide SCHEMBL16178922 1.00 GRIN1 (0.54) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL144720 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL29875956 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL28175592 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL19313988 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL144721 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL350132 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
SCHEMBL20677083 0.98 GRIN1 (0.55) GRIN1GRIN2BCYP19A1GPBAR1LMNA
Charcoal, Activated SCHEMBL30693761 0.97 GRIN1 (0.54) GRIN1GRIN2BCYP19A1GPBAR1LMNA
Water SCHEMBL28180475 0.97 GRIN1 (0.54) GRIN1GRIN2BCYP19A1GPBAR1LMNA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
US-20240076310-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-03-07 US disclosed
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof Sage Therpeutics, Inc. (US) 2024-02-27 US disclosed
EP-4144746-A1 NEUROACTIVE STEROIDS, COMPOSITIONS AND USES THEREOF Sage Therapeutics, Inc. (US) 2023-03-08 EP disclosed
US-11261211-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-03-01 US disclosed
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
EP-3909966-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROID FOR USE IN THERAPY Sage Therapeutics, Inc. (US) 2021-11-17 EP disclosed
EP-3498725-B1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROID FOR USE IN THERAPY SAGE THERAPEUTICS INC (US) 2021-06-09 EP disclosed
US-20210139531-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2021-05-13 US disclosed
US-20210061850-A1 NEUROACTIVE STERIODS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-03-04 US disclosed
WO-2014169832-A9 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-03 WO disclosed
WO-2014169833-A9 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-03 WO disclosed
EP-2986624-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2016-02-24 EP disclosed
EP-2986623-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2016-02-24 EP disclosed
CN-105339381-A 19-nor C3, 3-disubstituted C21-N-pyrazolylsterols and methods of use thereof SAGE THERAPEUTICS INC 2016-02-17 CN disclosed
CN-105246909-A 19-nor steroids that stimulate neural activity and methods of use thereof SAGE THERAPEUTICS INC 2016-01-13 CN disclosed
WO-2015180679-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-12-03 WO disclosed
WO-2014169833-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO disclosed
WO-2014169832-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO disclosed
WO-2014169836-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO 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-20240076310-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CNR1, NR3C2, CNR2 PSEN1 343/4885PSEN2 453/4885APH1B 291/4885
US-20210061850-A1 NEUROACTIVE STERIODS, COMPOSITIONS, AND USES THEREOF HSD3B1, HTR3B, HSD3B2 PSEN1 655/4885PSEN2 787/4885APH1B 555/4885
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof NR3C2, HSD3B1, HSD3B2 PSEN1 216/4885PSEN2 252/4885APH1B 189/4885
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof NR3C2, NR3C1, CYP11B1 PSEN1 249/4885PSEN2 386/4885APH1B 286/4885
US-20210139531-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 PSEN1 216/4885PSEN2 252/4885APH1B 189/4885
US-11261211-B2 19-NOR neuroactive steroids and methods of use thereof NR3C2, HSD3B1, NR3C1 PSEN1 190/4885PSEN2 275/4885APH1B 182/4885

“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.