SCHEMBL6201692

SCHEMBL6201692

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PARP1 P09874 1/20 0.31
PTGS1 P23219 4/20 0.31
PTGS2 P35354 3/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL6202160 1.00 DRD2 (0.40) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL6205520 0.93 LMNA (0.33) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL6199898 0.93 LMNA (0.33) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL6203490 0.85 LMNA (0.36) DRD2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL6204862 0.85 LMNA (0.36) DRD2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL5729832 0.84 DRD2 (0.54) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL5764664 0.78 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL5765990 0.78 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4906723 0.78 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL5766908 0.78 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 11 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
US-6803368-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-12 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-20020183330-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 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
WO-2002085912-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE 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 (3 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-20020183330-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene SNCA, PARK7, SYNJ1 DRD2 17/4885DRD4 41/4885DRD3 15/4885
US-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 DRD2 4/4885DRD4 18/4885DRD3 11/4885
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 DRD2 4/4885DRD4 18/4885DRD3 11/4885

“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.