Bromomethane

Bromomethane

SCHEMBL3888151

CBr.c1ccc2c(c1)OCCO2

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.82
ICAM1 P05362 1/20 0.82
ITGAL P20701 1/20 0.82
LMNA P02545 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
CRHBP P24387 2/20 0.70
CRHR2 Q13324 2/20 0.70
HTT P42858 2/20 0.70
ABCG2 Q9UNQ0 1/20 0.55
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.46
NOTUM Q6P988 1/20 0.44
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 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
SCHEMBL11519392 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL27796077 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL8518 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL11406989 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL6791411 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL11399163 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL29997436 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALLMNASMN1; SMN2
Methyl Alcohol SCHEMBL3885106 0.88 ITGB2 (0.82) ITGB2ICAM1ITGALLMNASMN1; SMN2
Methylamine SCHEMBL3886898 0.88 ITGB2 (0.82) ITGB2ICAM1ITGALLMNASMN1; SMN2
Methane SCHEMBL28630381 0.88 ITGB2 (0.93) ITGB2ICAM1ITGALLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7488751-B2 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2009-02-10 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
CN-100352820-C Antidepressant azacyclomethyl derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2007-12-05 CN disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 US disclosed
US-7135479-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-11-14 US disclosed
US-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2006-07-20 US disclosed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 US disclosed
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2004-07-01 US disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024723-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN WYETH (US) 2004-03-25 WO disclosed
EP-1381600-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN Wyeth, A Corporation of the State of Delaware (US) 2004-01-21 EP disclosed
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2003-12-25 US disclosed
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US disclosed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 US disclosed
WO-2002085896-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN WYETH (US) 2002-10-31 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 (8 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-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 ITGB2 3253/4885ICAM1 2725/4885ITGAL 3044/4885
US-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, DRD2 ITGB2 1891/4885ICAM1 1888/4885ITGAL 2383/4885
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH ITGB2 1950/4885ICAM1 3203/4885ITGAL 2039/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 ITGB2 3253/4885ICAM1 2725/4885ITGAL 3044/4885
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, TAAR5 ITGB2 1567/4885ICAM1 1532/4885ITGAL 2146/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A ITGB2 2115/4885ICAM1 3078/4885ITGAL 1968/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 ITGB2 1704/4885ICAM1 2738/4885ITGAL 1691/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH ITGB2 2528/4885ICAM1 3063/4885ITGAL 2718/4885

“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.