SCHEMBL5843574

SCHEMBL5843574

COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CO2

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.75
SLC6A4 P31645 5/20 0.60
DRD2 P14416 1/20 0.48

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
SCHEMBL5845217 0.94 HTR1A (0.66) HTR1ASLC6A4DRD2
SCHEMBL5844626 0.90 HTR1A (0.67) HTR1ASLC6A4DRD2
SCHEMBL5843529 0.89 HTR1A (0.60) HTR1ASLC6A4DRD2
SCHEMBL7215975 0.88 HTR1A (0.60) HTR1ASLC6A4DRD2
SCHEMBL6628980 0.87 HTR1A (0.66) HTR1ASLC6A4DRD2
SCHEMBL7125110 0.86 HTR1A (0.76) HTR1ASLC6A4DRD2
SCHEMBL7129070 0.86 HTR1A (0.76) HTR1ASLC6A4DRD2
SCHEMBL7920755 0.86 HTR1A (1.00) HTR1ASLC6A4DRD2
SCHEMBL5845678 0.85 HTR1A (0.57) HTR1ASLC6A4DRD2
SCHEMBL6627003 0.85 HTR1A (0.58) HTR1ASLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US claimed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 US claimed
US-7041683-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1, 4-benzodiozan WYETH (US) 2006-05-09 US disclosed
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2003-12-25 US disclosed
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US disclosed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 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 (2 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-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HTR1A 16/4885SLC6A4 185/4885DRD2 3/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HTR1A 16/4885SLC6A4 185/4885DRD2 3/4885

“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.