SCHEMBL4470927

SCHEMBL4470927

CN1CCCN(CC2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 1/20 0.47
SIGMAR1 Q99720 3/20 0.44
MAPT P10636 6/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 3/20 0.40
TP53 P04637 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4470728 0.94 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL4321783 0.88 CHRM5 (0.48) MAPTGAALMNATHRBTP53
SCHEMBL27571743 0.87 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL3555476 0.85 CHRM5 (0.54) MAPTGAALMNATHRBTP53
SCHEMBL3165975 0.83 CHRM5 (0.57) MAPTGAALMNATHRBTP53
SCHEMBL24319343 0.83 CHRM5 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CSIGMAR1
SCHEMBL4668202 0.82 SMN1; SMN2 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CSIGMAR1
SCHEMBL14270469 0.81 CHRM5 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CSIGMAR1
SCHEMBL18713017 0.80 CYP1A2 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CSIGMAR1
SCHEMBL4469088 0.80 HSD11B1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R CACNA2D1 1091/4885CACNA1B 946/4885CACNB1 1474/4885

“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.