SCHEMBL6790780

SCHEMBL6790780

CCN(CCCc1c[nH]c2ccc(C#N)cc12)CC1COc2ccc3nc(C)oc3c2O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.45
HTR1A P08908 15/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL5236500 0.91 SLC6A4 (0.48) SLC6A4HTR1ACYP3A4CYP2C8DRD2
SCHEMBL5238549 0.89 MPO (0.52) SLC6A4HTR1AMPO
SCHEMBL6894817 0.88 HTR1A (0.51) SLC6A4HTR1ACYP3A4CYP2C8DRD2
SCHEMBL5234175 0.85 HTR1A (0.44) SLC6A4HTR1ADRD2
SCHEMBL5233844 0.80 HTR1A (0.48) SLC6A4HTR1AMPO
SCHEMBL5232383 0.79 HTR1A (0.52) SLC6A4HTR1ACYP3A4CYP2C8DRD2
SCHEMBL5236133 0.77 HTR1A (0.50) SLC6A4HTR1ACYP3A4CYP2C8DRD2
SCHEMBL5236576 0.77 MPO (0.52) SLC6A4HTR1AMPO
SCHEMBL5234085 0.74 HTR1A (0.50) SLC6A4HTR1AMPO
SCHEMBL5232373 0.74 HTR1A (0.49) SLC6A4HTR1ACYP3A4CYP2C8DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 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 (1 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-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines HTR5A, TPH1, DBH SLC6A4 42/4885HTR1A 13/4885CYP3A4 306/4885

“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.