SCHEMBL2855044

SCHEMBL2855044

CCc1[c]c(CC)c([N+](N)=O)c(CC)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL745112 0.71 NOS3 (0.31)
SCHEMBL514516 0.69
SCHEMBL513495 0.69
SCHEMBL514963 0.69
SCHEMBL513832 0.69 GABRA1 (0.37)
SCHEMBL468085 0.62 GABRA1 (0.31)
SCHEMBL28776275 0.60 NOS3 (0.32)
SCHEMBL467893 0.59 GRIN2D (0.34)
SCHEMBL458346 0.59 HTT (0.53) POLBHTT
SCHEMBL3689561 0.59 CYP3A4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 POLB 4035/4885HTT 2539/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 POLB 4035/4885HTT 2539/4885

“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.