SCHEMBL4375172

SCHEMBL4375172

Cc1nc2ccc3c(c2o1)OC(CO)CO3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTR1A P08908 8/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOD2 Q9HC29 1/20 0.34
MTNR1A P48039 7/20 0.34
MTNR1B P49286 7/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL4365997 1.00 RXFP1 (0.38) RXFP1KDM4EALDH1A1HPGDHTR1A
SCHEMBL6773488 0.81 ADRA2A (0.50) HTR1ASLC6A4
SCHEMBL4821524 0.77 TSHR (0.35) HTR1ALMNATP53TSHRMAPK1
SCHEMBL4362041 0.77 RXFP1 (0.32) RXFP1HTR1AMTNR1AMTNR1B
SCHEMBL4368745 0.77 LMNA (0.40) KDM4EALDH1A1LMNATSHRMAPK1
SCHEMBL5103551 0.77 LMNA (0.40) KDM4EALDH1A1LMNATSHRMAPK1
SCHEMBL4375168 0.76 HTR1A (0.55) RXFP1KDM4EALDH1A1HPGDHTR1A
SCHEMBL4998334 0.76 HTR1A (0.55) RXFP1KDM4EALDH1A1HPGDHTR1A
SCHEMBL4363794 0.76 HTR1A (0.55) RXFP1KDM4EALDH1A1HPGDHTR1A
SCHEMBL4821516 0.76 CA2 (0.38) KDM4EALDH1A1HTR1ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP 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
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-29 US disclosed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 US disclosed
US-6617334-B2 Inhibiting the reuptake of serotonin in a subject suffering from postraumatic stress, ADD, premenstrual dysphoria, obesity, eating disorder, vasomotor flushing, cocaine and alcohol addiction, and sexual dysfunction WYETH 2003-09-09 US disclosed
US-6613913-B2 Intermediate for antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta [a]naphthalene WYETH 2003-09-02 US disclosed
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE WYETH 2003-07-17 US disclosed
US-6525075-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-02-25 US disclosed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US disclosed
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 US disclosed
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 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 (10 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-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D RXFP1 1629/4885KDM4E 1785/4885ALDH1A1 83/4885
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE OPRD1, HTR1A, HTR1D RXFP1 1629/4885KDM4E 1785/4885ALDH1A1 83/4885
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH RXFP1 3642/4885KDM4E 2180/4885ALDH1A1 822/4885
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 RXFP1 4308/4885KDM4E 1518/4885ALDH1A1 2148/4885
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists HTR1A, HTR5A, HTR1D RXFP1 1189/4885KDM4E 2808/4885ALDH1A1 307/4885
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1D RXFP1 2038/4885KDM4E 1624/4885ALDH1A1 292/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A RXFP1 3713/4885KDM4E 1984/4885ALDH1A1 640/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 RXFP1 3347/4885KDM4E 2371/4885ALDH1A1 409/4885
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans HTR5A, OPRD1, CRH RXFP1 3423/4885KDM4E 2974/4885ALDH1A1 363/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH RXFP1 3310/4885KDM4E 2557/4885ALDH1A1 394/4885

“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.