SCHEMBL4361376

SCHEMBL4361376

Cc1ccc2c3c(ccc2n1)OCC(CN1CC=C(c2cc4ccccc4o2)CC1)O3

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.68
SLC6A4 P31645 1/20 0.68
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
DRD2 P14416 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL6903037 0.88 HTR1A (0.76) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL4363811 0.84 HTR1A (0.66) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL4366135 0.83 HTR1A (0.62) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL6628011 0.81 HTR1A (1.00) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL4998818 0.81 HTR1A (1.00) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL4363257 0.81 HTR1A (0.73) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL4365868 0.80 HTR1A (0.67) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL6629038 0.78 HTR1A (0.84) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL6650469 0.78 HTR1A (0.60) HTR1ASLC6A4DRD4DRD3DRD2
SCHEMBL6629168 0.77 HTR1A (0.82) HTR1ASLC6A4DRD4DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939877-B2 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH (US) 2005-09-06 US claimed
EP-1537120-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth, A Corporation of the State of Delaware (US) 2005-06-08 EP claimed
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-29 US claimed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO claimed
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-20050228009-A1 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2005-10-13 US disclosed
US-6939877-B2 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH (US) 2005-09-06 US disclosed
EP-1537120-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth, A Corporation of the State of Delaware (US) 2005-06-08 EP disclosed
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-29 US disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS 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 (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-20050228009-A1 Antidepressant piperidine derivatives of heterocyclefused benzodioxans HTR5A, OPRD1, DRD2 HTR1A 53/4885SLC6A4 166/4885DRD4 6/4885
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans HTR5A, OPRD1, CRH HTR1A 44/4885SLC6A4 172/4885DRD4 8/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HTR1A 39/4885SLC6A4 155/4885DRD4 8/4885

“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.