SCHEMBL5845948

SCHEMBL5845948

COc1cccc2c1O[C@H](Cc1cc(C)ccc1S(=O)(=O)O)CO2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.44
ADRA1A P35348 8/20 0.44
ADRA1B P35368 8/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 7/20 0.42
SLC6A4 P31645 3/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5845943 1.00 ADRA1D (0.44) ADRA1DADRA1AADRA1BGAARAB9A
SCHEMBL7286936 0.83 LMNA (0.50) GAARAB9ASMN1; SMN2TSHR
SCHEMBL6631842 0.82 KMT2A (0.38) GAARAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL7199693 0.80 MTNR1A (0.50) GAASMN1; SMN2
SCHEMBL7215975 0.79 HTR1A (0.60) HTR1ASLC6A4
SCHEMBL6105410 0.77 HSP90AA1 (0.35) GAARAB9ASMN1; SMN2L3MBTL1TSHR
SCHEMBL4335129 0.77 NR3C1 (0.37) GAARAB9ASMN1; SMN2L3MBTL1HTR1A
SCHEMBL6107714 0.77 HTR1A (0.39) HTR1ASLC6A4TSHR
SCHEMBL5767727 0.77 CA2 (0.36) GAARAB9ASMN1; SMN2TSHR
SCHEMBL5768634 0.77 CA2 (0.36) GAASMN1; SMN2HTR1ATSHR

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-7041683-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1, 4-benzodiozan WYETH (US) 2006-05-09 US 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 (2 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 ADRA1D 22/4885ADRA1A 103/4885ADRA1B 110/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 ADRA1D 22/4885ADRA1A 103/4885ADRA1B 110/4885

“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.