SCHEMBL6843626

SCHEMBL6843626

Cc1nc2ccc3c(c2o1)OC(CN1CC=C(c2c[nH]c4ccc(C#N)cc24)CC1)CO3

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.61
SLC6A4 P31645 3/20 0.61
DRD2 P14416 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
DRD4 P21917 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7032693 0.89 HTR1A (0.51) HTR1ASLC6A4DRD2CYP3A4CYP2C8
SCHEMBL6844238 0.89 HTR1A (0.64) HTR1ASLC6A4DRD2HTR6
SCHEMBL6848226 0.89 HTR1A (0.64) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL6847481 0.88 HTR1A (0.78) HTR1ASLC6A4DRD2HTR6HTR2A
SCHEMBL6627255 0.86 HTR1A (0.63) HTR1ASLC6A4DRD2CYP3A4CYP2C8
SCHEMBL6844182 0.85 HTR1A (0.66) HTR1ASLC6A4DRD2HTR2A
SCHEMBL5843529 0.81 HTR1A (0.60) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6843636 0.81 HTR1A (0.60) HTR1ASLC6A4DRD2HTR2A
SCHEMBL27512557 0.81 HTR1A (0.49) HTR1ASLC6A4DRD2CYP3A4CYP2C8
SCHEMBL7034985 0.80 HTR1A (0.53) HTR1ASLC6A4DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392700-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALENE WYETH CORP (US) 2004-09-29 EP claimed
EP-1392700-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALENE Wyeth (US) 2004-03-03 EP claimed
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 claimed
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2002-12-05 US claimed
WO-2002088140-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE WYETH (US) 2002-11-07 WO claimed
EP-1392700-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALENE WYETH CORP (US) 2004-09-29 EP disclosed
EP-1392700-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALENE Wyeth (US) 2004-03-03 EP 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-20030109562-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2003-06-12 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-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002088140-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[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 (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-20030109562-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D HTR1A 2/4885SLC6A4 88/4885DRD2 20/4885
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D HTR1A 2/4885SLC6A4 88/4885DRD2 20/4885
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE OPRD1, HTR1A, HTR1D HTR1A 2/4885SLC6A4 88/4885DRD2 20/4885

“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.