Bromide

Bromide

SCHEMBL2033463

Br.C=CCN[C@@H]1CC(Br)c2ccccc21

nearest known ligand 0.42

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 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.42
HTR1A known ✓ P08908 2/20 0.40
SLC6A2 known ✓ P23975 7/20 0.32
SLC6A4 known ✓ P31645 7/20 0.32
SLC6A3 known ✓ Q01959 7/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL2029278 0.98 SIGMAR1 (0.43) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3892949 0.79 SIGMAR1 (0.43) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3889734 0.79 SIGMAR1 (0.43) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3906553 0.79 SIGMAR1 (0.43) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3892951 0.79 SIGMAR1 (0.43) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7538877 0.71 SIGMAR1 (0.55) SIGMAR1HTR1A
SCHEMBL8060721 0.70 MTNR1A (0.36) SIGMAR1HTR1AKDM4EALDH1A1LMNA
SCHEMBL1969755 0.69 HTR1A (0.62) SIGMAR1HTR1A
SCHEMBL31046300 0.69 HTR1A (0.62) SIGMAR1HTR1A
SCHEMBL1971780 0.69 HTR1A (0.62) SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741962-B2 Process for preparation of Rasagiline and salts thereof USV LIMITED (IN) 2014-06-03 US claimed
EP-2364967-A2 Process for preparation of rasagiline and salts thereof USV Limited (IN) 2011-09-14 EP claimed
US-20110155626-A1 PROCESS FOR PREPARATION OF RASAGILINE AND SALTS THEREOF USV LIMITED (IN) 2011-06-30 US claimed
US-8741962-B2 Process for preparation of Rasagiline and salts thereof USV LIMITED (IN) 2014-06-03 US disclosed
EP-2364967-A2 Process for preparation of rasagiline and salts thereof USV Limited (IN) 2011-09-14 EP disclosed
US-20110155626-A1 PROCESS FOR PREPARATION OF RASAGILINE AND SALTS THEREOF USV LIMITED (IN) 2011-06-30 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-20110155626-A1 PROCESS FOR PREPARATION OF RASAGILINE AND SALTS THEREOF RAB27A, RAB35, RAB7A SIGMAR1 3861/4885HTR1A 1838/4885SLC6A2 865/4885

“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.