SCHEMBL4363680

SCHEMBL4363680

Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(c2nc4ccccc4o2)CC1)O3

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.63
SLC6A4 P31645 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL4366135 0.87 HTR1A (0.62) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4187208 0.82 HTR1A (0.65) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL6907539 0.81 HTR1A (0.69) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL6627993 0.80 HTR1A (0.67) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5912602 0.79 HTR1A (0.66) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5912597 0.79 HTR1A (0.66) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5912765 0.78 HTR1A (0.67) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5912587 0.78 HTR1A (1.00) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5912610 0.76 HTR1A (0.75) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5912846 0.76 HTR1A (0.83) HTR1ASLC6A4CYP3A4CYP2C8DRD2

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 166/4885CYP3A4 354/4885
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans HTR5A, OPRD1, CRH HTR1A 44/4885SLC6A4 172/4885CYP3A4 441/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HTR1A 39/4885SLC6A4 155/4885CYP3A4 445/4885

“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.