SCHEMBL4464858

SCHEMBL4464858

CN1CCCN(C(=O)CN2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL13621203 0.88 GAA (0.62) GAAKMT2ATDP1ALOX15TSHR
SCHEMBL20338317 0.86 GAA (0.69) GAAKMT2ATDP1ALOX15TSHR
SCHEMBL2075916 0.86 GAA (0.63) GAAKMT2ATDP1ALOX15TSHR
SCHEMBL11952846 0.86 GAA (0.61) GAATDP1ALOX15TSHRHSD17B10
SCHEMBL4462112 0.85 KMT2A (0.48) KMT2ATDP1L3MBTL1HTTLMNA
SCHEMBL11952850 0.84 GAA (0.67) GAAKMT2ATDP1ALOX15TSHR
SCHEMBL2852512 0.84 HTT (0.57) KMT2ATDP1ALDH1A1L3MBTL1HTT
SCHEMBL2677513 0.82 GAA (0.77) GAATDP1ALOX15TSHRHSD17B10
SCHEMBL12569136 0.82 GAA (0.76) GAATDP1ALOX15TSHRHSD17B10
SCHEMBL4000321 0.82 GAA (0.50) GAAKMT2ATDP1ALOX15TSHR

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 GAA 1470/4885KMT2A 4041/4885TDP1 3724/4885

“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.