Bromide

Bromide

SCHEMBL14659502

Br.CC1(C(=O)O)CCCN1

nearest known ligand 0.39

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 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36

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 SCHEMBL6632314 1.00 FFAR3 (0.39) FFAR3ARG1ARG2
SCHEMBL573927 0.98
SCHEMBL3325667 0.98
SCHEMBL697443 0.98
Water SCHEMBL25175984 0.95 FFAR3 (0.39) FFAR3ARG1ARG2
Hydrochloric Acid SCHEMBL17393208 0.95 FFAR3 (0.39) FFAR3ARG1ARG2
Hydrochloric Acid SCHEMBL16798066 0.95 FFAR3 (0.39) FFAR3ARG1ARG2
Hydrochloric Acid SCHEMBL17393207 0.95 FFAR3 (0.39) FFAR3ARG1ARG2
SCHEMBL25372775 0.91 FFAR3 (0.39) FFAR3ARG1ARG2
SCHEMBL53553 0.91 FFAR3 (0.39) FFAR3ARG1ARG2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284295-B2 Tetrahydrobenzothiophene compound ASTELLAS PHARMA INC. (JP) 2016-03-15 US disclosed
EP-2565190-B1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC (JP) 2015-06-03 EP disclosed
US-20140329802-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-06 US disclosed
US-8729068-B2 Tetrahydrobenzothiophene compound ASTELLAS PHARMA INC. (JP) 2014-05-20 US disclosed
EP-2565190-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20130053369-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-02-28 US disclosed
US-20130029973-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-31 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 (3 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-20140329802-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC34A1, SLC10A2 FFAR3 1514/4885ARG1 2589/4885ARG2 2203/4885
US-20130029973-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC10A2, SLC34A1 FFAR3 3058/4885ARG1 4695/4885ARG2 4390/4885
US-20130053369-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC34A1, SLC10A2 FFAR3 1514/4885ARG1 2589/4885ARG2 2203/4885

“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.