SCHEMBL3885950

SCHEMBL3885950

O=C(Cl)C1Cc2ccccc2OO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 7/20 0.38
AOC2 O75106 5/20 0.38
MAOA P21397 5/20 0.38
DAO P14920 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL3568561 0.86 HPGD (0.46) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL5215909 0.84 HPGD (0.45) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL1519282 0.84 SMN1; SMN2 (0.51) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL2176045 0.82 HPGD (0.58) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL16296612 0.79 POLB (0.43) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL1519251 0.75 SIGMAR1 (0.45) HPGDTSHR
SCHEMBL28551393 0.73 LMNA (0.42) HPGDTSHRMAOBAOC2MAOA
SCHEMBL25798208 0.73 HPGD (0.53) HPGDTSHRHDAC3HDAC4HDAC1
SCHEMBL10654103 0.72 MAOB (0.39) HPGDTSHRMAOBAOC2MAOA
SCHEMBL449445 0.72 MAOA (0.37) HPGDTSHRMAOBAOC2MAOA

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 29 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
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-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan WYETH (US) 2006-07-06 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 (9 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 HPGD 312/4885TSHR 2555/4885NFKB1 1039/4885
US-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, DRD2 HPGD 910/4885TSHR 2515/4885NFKB1 420/4885
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH HPGD 928/4885TSHR 1338/4885NFKB1 500/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HPGD 312/4885TSHR 2555/4885NFKB1 1039/4885
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, TAAR5 HPGD 1004/4885TSHR 2117/4885NFKB1 501/4885
US-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan HTR5A, OPRD1, DRD2 HPGD 910/4885TSHR 2515/4885NFKB1 420/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A HPGD 927/4885TSHR 1187/4885NFKB1 414/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 HPGD 1126/4885TSHR 1069/4885NFKB1 434/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HPGD 839/4885TSHR 1272/4885NFKB1 165/4885

“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.