Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL5534658

C[N+]1(CCCOc2ccc3c(c2)OCO3)CCC(OC(=O)C2c3ccccc3Oc3ccccc32)C1.[Br-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
▸ CHRM3 known ✓ P20309 10/20 0.51
▸ CHRM2 known ✓ P08172 7/20 0.43
▸ CHRM1 known ✓ P11229 7/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAOB P27338 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ DRD2 P14416 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
Trifluoroacetic Acid SCHEMBL5535488 0.93 CHRM3 (0.46) CHRM3MEN1MAPTTSHRKMT2A
Bromide SCHEMBL5546045 0.88 CHRM3 (0.65) CHRM3CHRM2CHRM1CCR1
SCHEMBL6417797 0.82 CHRM3 (0.54) CHRM3ALDH1A1CHRM2CHRM1CCR1
SCHEMBL6423109 0.82 CHRM3 (0.54) CHRM3MEN1MAPTKMT2ACHRM2
Bromide SCHEMBL5532362 0.82 CHRM3 (0.50) CHRM3MAPTALDH1A1CHRM2CHRM1
SCHEMBL5538287 0.79 CHRM3 (0.50) CHRM3CHRM2CHRM1CYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL5538285 0.79 CHRM3 (0.50) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5544783 0.78 CHRM3 (0.49) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5546014 0.78 CHRM3 (0.49) CHRM3MEN1MAPTKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5533187 0.78 CHRM3 (0.49) CHRM3ALDH1A1CHRM2CHRM1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 — — US claimed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 — — US claimed
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 — — US disclosed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 — — US disclosed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 — — 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 (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-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885

“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.