SCHEMBL4167437

SCHEMBL4167437

NC1(OC2(N)CCCCCC2)CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL437421 1.00 TSHR (0.33) TSHRCYP2C19
SCHEMBL4168087 1.00 TSHR (0.33) TSHRCYP2C19
SCHEMBL4178006 0.96
SCHEMBL5051935 0.79 TSHR (0.33) TSHRCYP2C19
SCHEMBL3714910 0.73
SCHEMBL20104747 0.73 TSHR (0.31) TSHRCYP2C19
SCHEMBL9148805 0.73
Hydrochloric Acid SCHEMBL4048738 0.71
SCHEMBL4441457 0.67
SCHEMBL31113476 0.67

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-20090105256-A1 PRODRUGS OF ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2009-04-23 US claimed
JP-2007531766-A 2007-11-08 JP claimed
EP-1729815-A2 PEGYLATED ION CHANNEL MODULATING COMPOUNDS Cardiome Pharma Corp. (CA) 2006-12-13 EP claimed
WO-2005113011-A2 PRODRUGS OF ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2005-12-01 WO claimed

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-20090105256-A1 PRODRUGS OF ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CACNA1B, CACNA1F, KCNN2 TSHR 3230/4885CYP2C19 510/4885

“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.