SCHEMBL5912866

SCHEMBL5912866

Cc1nc2ccc3c(c2o1)OC(CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)CO3

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C8 P10632 1/20 0.74
DRD2 P14416 1/20 0.74
DRD4 P21917 1/20 0.74
CYP2C19 P33261 1/20 0.74
DRD3 P35462 1/20 0.74
HRH3 Q9Y5N1 1/20 0.46
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A4 P31645 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
SCHEMBL5912876 0.85 HTR1A (1.00) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912749 0.84 HTR1A (0.77) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912754 0.84 HTR1A (0.77) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912647 0.83 HTR1A (1.00) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912590 0.82 HTR1A (0.82) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912594 0.82 HTR1A (0.82) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL6773488 0.77 ADRA2A (0.50) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL6777242 0.74 HTR1A (0.42) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL6843626 0.73 HTR1A (0.61) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912812 0.72 HTR1A (1.00) HTR1ACYP3A4CYP2C8DRD2DRD4

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-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-07 US claimed
EP-1537121-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 EP claimed
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-22 US claimed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO claimed
US-7153849-B2 Antidepressant arylpiperazine derivatives of hetrocycle-fused benzodioxans WYETH (US) 2006-12-26 US disclosed
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-07 US disclosed
EP-1537121-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 EP disclosed
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-22 US disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE 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 (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-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TAAR5 HTR1A 51/4885CYP3A4 225/4885CYP2C8 716/4885
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CYP19A1, CRH HTR1A 39/4885CYP3A4 186/4885CYP2C8 624/4885

“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.