SCHEMBL4537537

SCHEMBL4537537

c1nc2c3c(ccc2[nH]1)OCCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.33
QPCT Q16769 2/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PARP1 P09874 1/20 0.33
ADRA2B P18089 1/20 0.33
PKM P14618 1/20 0.33
BRAF P15056 1/20 0.33
ADRB1 P08588 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 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
SCHEMBL5760174 0.86 QPCT (0.39) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL6199543 0.71 HTR1A (0.36) LMNAALDH1A1DPP4KDM4EPARP1
SCHEMBL15721710 0.71 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3900178 0.70 ADRA2A (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL5767894 0.70 ADRA2A (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4038252 0.70 ADRA2A (0.33) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8265186 0.69 HCRTR1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4114394 0.68 LMNA (0.34) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL4307834 0.68 MAPT (0.52) ADRA1ALMNAMEN1KMT2AALDH1A1
SCHEMBL29339051 0.67 CHEK2 (0.43) ADRA2AADRA2CLMNAMEN1KMT2A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 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
CN-1267434-C Antidepressant (SSSRI) azaheterocyclylmethyl derivatives of 7, 8-dihydro-3H-6, 9-dioxa-1, 3-diazacyclopenta [ a ] naphthalene WYETH CORP (US) 2006-08-02 CN disclosed
EP-1546151-B1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH CORP (US) 2006-04-12 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-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-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
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
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 (6 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-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH ADRA2A 298/4885ADRA2C 84/4885ADRA1D 208/4885
US-20020183330-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene SNCA, PARK7, SYNJ1 ADRA2A 447/4885ADRA2C 271/4885ADRA1D 197/4885
US-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 ADRA2A 110/4885ADRA2C 96/4885ADRA1D 40/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A ADRA2A 405/4885ADRA2C 132/4885ADRA1D 202/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH ADRA2A 402/4885ADRA2C 132/4885ADRA1D 112/4885
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 ADRA2A 110/4885ADRA2C 96/4885ADRA1D 40/4885

“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.