SCHEMBL3889405

SCHEMBL3889405

Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCc4ccccc4)C3)c2c1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.72
HTR1A P08908 5/20 0.55
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL3889413 1.00 SLC6A4 (0.72) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL3884378 1.00 SLC6A4 (0.72) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL3898028 1.00 SLC6A4 (0.72) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL3896858 1.00 SLC6A4 (0.72) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL7479891 0.93 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL5784929 0.86 SLC6A4 (0.71) SLC6A4HTR1BHTR2A
SCHEMBL5785429 0.86 SLC6A4 (0.71) SLC6A4HTR1BHTR2A
SCHEMBL5785421 0.86 SLC6A4 (0.71) SLC6A4HTR1BHTR2A
SCHEMBL5784935 0.86 SLC6A4 (0.71) SLC6A4HTR1BHTR2A
SCHEMBL5784926 0.86 SLC6A4 (0.71) SLC6A4HTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488751-B2 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2009-02-10 US disclosed
US-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2006-07-20 US disclosed
US-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan WYETH (US) 2006-07-06 US disclosed
US-7041697-B2 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2006-05-09 US disclosed
US-6911445-B2 For reatment of depression, childhood depression, dysthymia, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder, attention deficit disorder, obsessive-compulsive disorder, cocaine and alcohol addiction WYETH (US) 2005-06-28 US disclosed
EP-1537103-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATES OF 2,3-DIHYDRO-1,4-BENZODIOXAN Wyeth (US) 2005-06-08 EP disclosed
US-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans WYETH 2004-09-02 US disclosed
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2004-07-01 US disclosed
WO-2004024723-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN WYETH (US) 2004-03-25 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 (4 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-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, DRD2 SLC6A4 66/4885HTR1A 31/4885DRD1 15/4885
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, TAAR5 SLC6A4 61/4885HTR1A 24/4885DRD1 12/4885
US-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan HTR5A, OPRD1, DRD2 SLC6A4 66/4885HTR1A 31/4885DRD1 15/4885
US-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TPH1 SLC6A4 76/4885HTR1A 39/4885DRD1 49/4885

“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.