SCHEMBL4469088

SCHEMBL4469088

CCN1CCN(CC2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 4/20 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
SCHEMBL18389996 0.86 HSD11B1 (0.45) HSD11B1SMN1; SMN2CACNA2D1CACNA1BCACNB1
SCHEMBL4470728 0.86 CACNA2D1 (0.51) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3555476 0.83 CHRM5 (0.54) SMN1; SMN2MAPTGAATHRB
SCHEMBL4321783 0.83 CHRM5 (0.48) SMN1; SMN2MAPTGAATHRB
SCHEMBL3825062 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27571743 0.82 CACNA2D1 (0.58) SMN1; SMN2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3165975 0.81 CHRM5 (0.57) SMN1; SMN2MAPTGAATHRB
SCHEMBL22520730 0.81 HSD11B1 (0.41) HSD11B1SMN1; SMN2CACNA2D1CACNA1BCACNB1
SCHEMBL2748651 0.80 KDM4E (0.53) HSD11B1KDM4E
SCHEMBL22520700 0.80 ACHE (0.50) HSD11B1SMN1; SMN2KDM4E

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 HSD11B1 699/4885SMN1; SMN2 1897/4885CACNA2D1 1091/4885

“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.