Bromide

Bromide

SCHEMBL5699015

Br.CCCN1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1

nearest known ligand 0.98

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 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 4/20 0.73
DRD3 P35462 11/20 0.98
DRD2 P14416 10/20 0.98
DRD4 P21917 7/20 0.65
DRD1 P21728 5/20 0.65
DRD5 P21918 5/20 0.65
NFKB1 P19838 1/20 0.64
PRCP P42785 1/20 0.64
EBP Q15125 1/20 0.64

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 SCHEMBL7023734 1.00 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL873078 0.99 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL873812 0.99 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL873549 0.99 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL29369425 0.99 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
Hydrochloric Acid SCHEMBL5678691 0.98 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
Hydrochloric Acid SCHEMBL5678697 0.98 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
Hydrochloric Acid SCHEMBL29634866 0.98 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL6880380 0.91 DRD3 (0.84) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL6881711 0.91 DRD3 (0.84) DRD3DRD2SIGMAR1DRD4DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716854-B2 3-(3-(METHYLSULFONYL)PHENYL)-1-PROPYLPIPERIDINE; SUBSTITUTED PHENYLAZACYCLOALKANES; DOPAMINERGIC PFIZER, INC. 2004-04-06 US claimed
EP-1363634-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP claimed
US-20030212065-A1 TREATMENTS FOR RESTLESS LEGS SYNDROME MCBRINN SYLVIA (US) 2003-11-13 US claimed
US-20030191149-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome MCCALL ROBERT B (US) 2003-10-09 US claimed
EP-1330248-A2 NEW TREATMENTS FOR RESTLESS LEGS SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2003-07-30 EP claimed
US-20030078273-A1 Compounds for the treatment of addictive disorders ANDERSON RICHARD W (US) 2003-04-24 US claimed
EP-1274430-A2 COMPOUNDS FOR TREATING FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2003-01-15 EP claimed
US-20020143010-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome MCCALL ROBERT B (US) 2002-10-03 US claimed
US-20020107257-A1 Treatments for restless legs syndrome PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
WO-2002036123-A2 NEW TREATMENTS FOR RESTLESS LEGS SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2002-05-10 WO claimed
US-20020049206-A1 Compounds for the treatment of addictive disorders PHARMACIA & UPJOHN (A DELAWARE CORPORATION) 2002-04-25 US claimed
WO-2002013807-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2002-02-21 WO claimed
US-20020004510-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome PHARMACIA & UPJOHN COMPANY 2002-01-10 US claimed
WO-2001081343-A2 COMPOUNDS FOR TREATING FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO claimed
EP-1685838-A1 Compounds for the treatment of addictive disorders Pharmacia & Upjohn Company LLC (US) 2006-08-02 EP disclosed
US-6841557-B2 Compounds for the treatment of addictive disorders PHARMACIA & UPJOHN (US) 2005-01-11 US disclosed
US-6716854-B2 3-(3-(METHYLSULFONYL)PHENYL)-1-PROPYLPIPERIDINE; SUBSTITUTED PHENYLAZACYCLOALKANES; DOPAMINERGIC PFIZER, INC. 2004-04-06 US disclosed
WO-2002013807-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2002-02-21 WO disclosed
US-20020004510-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome PHARMACIA & UPJOHN COMPANY 2002-01-10 US disclosed
WO-2001081343-A2 COMPOUNDS FOR TREATING FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 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 (7 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-20020049206-A1 Compounds for the treatment of addictive disorders OPRK1, SLC6A3, TACR2 SIGMAR1 181/4885DRD3 26/4885DRD2 11/4885
US-20020004510-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome GRK5, GRK4, GPR35 SIGMAR1 2565/4885DRD3 1356/4885DRD2 1359/4885
US-20030078273-A1 Compounds for the treatment of addictive disorders OPRK1, SLC6A3, TACR2 SIGMAR1 181/4885DRD3 26/4885DRD2 11/4885
US-20020143010-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome GRK5, GRK4, GPR35 SIGMAR1 2565/4885DRD3 1356/4885DRD2 1359/4885
US-20020107257-A1 Treatments for restless legs syndrome HCRTR2, PNMT, HCRTR1 SIGMAR1 1403/4885DRD3 329/4885DRD2 189/4885
US-20030212065-A1 TREATMENTS FOR RESTLESS LEGS SYNDROME HCRTR2, PNMT, HCRTR1 SIGMAR1 1403/4885DRD3 329/4885DRD2 189/4885
US-20030191149-A1 Compounds for treating fibromyalgia and chronic fatigue syndrome GRK5, GRK4, GPR35 SIGMAR1 2565/4885DRD3 1356/4885DRD2 1359/4885

“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.