Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL3540320

Br.Fc1ccc(Sc2ccccc2Cl)c(C2CCNCC2)c1

nearest known ligand 0.45

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 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 known ✓ P23975 14/20 0.45
▸ SLC6A4 known ✓ P31645 14/20 0.45
▸ SLC6A3 known ✓ Q01959 13/20 0.45
▸ HTR1A known ✓ P08908 12/20 0.45
▸ HTR3A known ✓ P46098 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL3548607 0.99 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3543924 0.89 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3538748 0.89 HTR1A (0.44) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3548204 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3546054 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3541861 0.86 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR1ACYP1A2
SCHEMBL3545463 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3546570 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3547741 0.83 HTR2C (0.51) SLC6A2SLC6A4SLC6A3HTR1AHTR6
Oxalic Acid SCHEMBL3548493 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR1AHTR6

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
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 — — US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 — — US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 — — EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 — — 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 (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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 SLC6A2 84/4885SLC6A4 14/4885SLC6A3 61/4885

“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.