SCHEMBL6199898

SCHEMBL6199898

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4[nH]c(C(F)(F)C(F)(F)F)nc4c3O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.30

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
SCHEMBL6205520 1.00 LMNA (0.33) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL6201692 0.93 DRD2 (0.40) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL6202160 0.93 DRD2 (0.40) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL6204862 0.84 LMNA (0.36) LMNADRD2ALDH1A1CYP3A4CYP2D6
SCHEMBL6203490 0.84 LMNA (0.36) LMNADRD2ALDH1A1CYP3A4CYP2D6
SCHEMBL5729832 0.78 DRD2 (0.54) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL5764664 0.77 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL5765990 0.77 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL5766908 0.77 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4906723 0.77 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401839-B9 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-11-30 EP disclosed
EP-1401839-B1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-09-07 EP disclosed
US-6927226-B2 Antidepressant azaheterocyclymethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2005-08-09 US disclosed
EP-1401839-A1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA A]NAPHTHALENE Wyeth (US) 2004-03-31 EP disclosed
US-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH 2004-01-15 US disclosed
US-6573283-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 2003-06-03 US disclosed
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2002-12-05 US disclosed
WO-2002088131-A1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA[A]NAPHTHALENE WYETH (US) 2002-11-07 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-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 LMNA 2909/4885DRD2 4/4885DRD4 18/4885
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 LMNA 2909/4885DRD2 4/4885DRD4 18/4885

“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.