SCHEMBL3886779

SCHEMBL3886779

NC1CCC(c2c[nH]c3ccc(F)cc23)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.66
HTR2A P28223 2/20 0.66
HTR1B P28222 2/20 0.66
HTR1A P08908 1/20 0.66
DRD1 P21728 1/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A3 Q01959 1/20 0.66
HTR2C P28335 1/20 0.65
HTR2B P41595 1/20 0.65
HTR1D P28221 1/20 0.52
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51

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
SCHEMBL3888648 1.00 SLC6A4 (0.66) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL3886782 1.00 SLC6A4 (0.66) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL3886786 1.00 SLC6A4 (0.66) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL3888644 1.00 SLC6A4 (0.66) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL5787906 0.91 HTR2A (0.64) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL5786564 0.91 HTR2A (0.64) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL5786565 0.91 HTR2A (0.64) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL6088177 0.80 SLC6A4 (1.00) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL6087331 0.80 SLC6A4 (1.00) SLC6A4HTR2AHTR1BHTR1ADRD1
SCHEMBL6087829 0.80 SLC6A4 (1.00) SLC6A4HTR2AHTR1BHTR1ADRD1

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 12 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
EP-1546151-B1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH CORP (US) 2006-04-12 EP disclosed
EP-1546151-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-29 EP 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-2004024732-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO 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 66/4885HTR2A 35/4885HTR1B 25/4885
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, TAAR5 SLC6A4 61/4885HTR2A 32/4885HTR1B 18/4885
US-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan HTR5A, OPRD1, DRD2 SLC6A4 66/4885HTR2A 35/4885HTR1B 25/4885
US-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TPH1 SLC6A4 76/4885HTR2A 45/4885HTR1B 34/4885

“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.