SCHEMBL2496256

SCHEMBL2496256

C1=C2[N]CCCC2=NCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13884308 0.68 CHRNB4 (0.39) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL3080293 0.64 NOS3 (0.47) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL18391503 0.63 CHRNB4 (0.31) CHRNB4CHRNA3
SCHEMBL22023761 0.63 CHRNB4 (0.34) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL2503027 0.62 TYMP (0.31)
SCHEMBL4771296 0.61 CHRNB4 (0.41) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL12533295 0.58 CHRNB4 (0.46) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL9322982 0.56 CHRNB4 (0.45) CHRNB4CHRNA3ALDH1A1
SCHEMBL1697263 0.55 CHRNB4 (0.44) CHRNB4CHRNA3
SCHEMBL3141751 0.55 CHRNB4 (0.44) CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US disclosed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 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 (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-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 CHRNB4 4595/4885CHRNA3 4552/4885ALDH1A1 3349/4885

“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.