SCHEMBL6676539

SCHEMBL6676539

C=CCc1c(OCc2ccccc2)ccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
CYP3A4 P08684 4/20 0.38
MAPT P10636 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL6674662 1.00 LMNA (0.38) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6627233 0.87 LMNA (0.37) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6632445 0.87 LMNA (0.37) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6627422 0.86 LMNA (0.37) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6631274 0.86 LMNA (0.37) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6627890 0.82 LMNA (0.36) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6627894 0.82 LMNA (0.36) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6628867 0.80 DRD2 (0.34) HPGDFFAR1POLB
SCHEMBL6628639 0.80 DRD2 (0.34) HPGDFFAR1POLB
SCHEMBL4357751 0.80 PRMT5 (0.36) LMNACYP3A4MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381613-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-(1,4)-BENZODIOXANS WYETH CORP (US) 2004-10-13 EP disclosed
US-6706736-B2 AMINES SUCH AS 3-(1-((8-METHYL-2,3-DIHYDROFURO(2,3-F)(1,4) BENZODIOXIN-2-YL)METHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE, ADMINISTERED AS SEROTONIN REUPTAKE INHIBITORS OR ANXIOLYTIC AGENTS WYETH 2004-03-16 US disclosed
US-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2003-08-28 US disclosed
US-6552049-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-04-22 US disclosed
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2002-12-05 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 (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-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4362/4885CYP3A4 662/4885MAPT 4556/4885
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4325/4885CYP3A4 898/4885MAPT 4575/4885

“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.