Benzyl Bromide

Benzyl Bromide

SCHEMBL7181000

BrCc1ccccc1.COc1ccc(Br)c(CBr)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.50
SLC6A4 P31645 6/20 0.50
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.45
LTA4H P09960 1/20 0.44
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.42
CALM1 P0DP23 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP27A1 Q02318 1/20 0.40
CYP24A1 Q07973 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1058869 0.88 HTR2A (0.44) HTR1ASLC6A4
Bromide SCHEMBL7547135 0.84 HTR2A (0.42) HTR1ASLC6A4
SCHEMBL20540008 0.83 LTA4H (0.56) HTR1ASLC6A4ALDH1A1LTA4HMAOB
1,3-Dimethoxybenzene SCHEMBL27950731 0.79 MAOB (0.65) TSHRALDH1A1TRPA1MAPK1MAOB
SCHEMBL29051690 0.79 CALM1 (0.53) HTR1ASLC6A4TSHRALDH1A1MAPK1
Benzyl Bromide SCHEMBL10545816 0.79 LTA4H (0.69) TSHRALDH1A1TRPA1LTA4HKDM4E
SCHEMBL2287390 0.78 LTA4H (0.44) HTR1ASLC6A4ALDH1A1LTA4HMTNR1B
SCHEMBL2291189 0.76 LTA4H (0.44) TSHRALDH1A1LTA4HMAOB
SCHEMBL30887370 0.75 HTR1A (0.53) HTR1ASLC6A4MAOBMTNR1AMTNR1B
SCHEMBL7551792 0.75 ADRA1A (0.48) HTR1ASLC6A4

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
EP-1055658-B1 Process for cis-1- 2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]ethyl pyrrolidine PFIZER PROD INC (US) 2003-03-12 EP disclosed
US-6395911-B1 AND OTHER INTERMEDIATES TO THE OSTEOPOROSIS DRUG (-)CIS-6-PHENYL-5-(4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL)-5,6,7, 8-TETRAHYDRONAPHTHALENE-2-OL PFIZER INC. 2002-05-28 US disclosed
US-20020042524-A1 Process for cis-1{2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine CHIU CHARLES K F (US) 2002-04-11 US disclosed
US-6323345-B1 BROMINATING 2-BROMO-5-METHOXY-TOLUENE TO PROVIDE 1-BROMO-2-BROMOMETHYL-4-METHOXYBENZENE; DECARBOXYLATION, REACTING WITH ETHYLENE GLYCOL; REACTING WITH N-BUTYL LITHIUM AND 4-BENZYLOXY BENZONITRILE; HYDROLYSIS, HYDROGENATION PFIZER INC. 2001-11-27 US disclosed
US-6232476-B1 Intermediates in a process for cis-1-{2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine PFIZER INC. 2001-05-15 US disclosed
EP-1055658-A2 Process for cis-1- 2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]ethyl pyrrolidine Pfizer Products Inc. (US) 2000-11-29 EP 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-20020042524-A1 Process for cis-1{2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine P4HA1, PAH, DNM1 HTR1A 307/4885SLC6A4 3721/4885TSHR 2662/4885

“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.