Bromide

Bromide

SCHEMBL5329247

Br.Oc1ccc(Cc2cc3c(cc2O)CCNCC3)cc1

nearest known ligand 0.52

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
▸ ADCY6 O43306 1/20 0.52
▸ ADCY3 O60266 1/20 0.52
▸ ADCY9 O60503 1/20 0.52
▸ ADCY5 O95622 1/20 0.52
▸ ADCY8 P40145 1/20 0.52
▸ ADCY7 P51828 1/20 0.52
▸ ADCY2 Q08462 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52
▸ ADCY4 Q8NFM4 1/20 0.52
▸ DRD2 P14416 3/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ KDM1A O60341 2/20 0.43
▸ DRD1 P21728 2/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR2C P28335 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL5325253 0.98 ADCY6 (0.53) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5325264 0.82 ADCY6 (0.49) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL217308 0.73 MAPT (0.59) KEAP1MAPTMEN1KMT2AALOX5
Bromide SCHEMBL11167892 0.73 ADCY6 (0.95) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5793449 0.71 ADCY6 (1.00) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL31237011 0.70 BCL2 (0.55) MEN1KMT2AALOX5
Bromide SCHEMBL10703420 0.70 DRD2 (0.76) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL14282073 0.68 HTR2C (0.56) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL4936396 0.68 HTR2C (0.56) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL278523 0.68 MAPT (0.78) KEAP1MAPTMEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 — — WO claimed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 — — US claimed
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 — — WO disclosed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 — — 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 (1 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-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA HTR2B, HTR2A, HTR3B ADCY6 1204/4885ADCY3 701/4885ADCY9 880/4885

“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.

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