SCHEMBL4000787

SCHEMBL4000787

O=C(CCN1CCNCC1)N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ATM Q13315 1/20 0.47
CA2 P00918 1/20 0.44
CHKA P35790 1/20 0.44
KDM1A O60341 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CXCR4 P61073 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
BIRC2 Q13490 1/20 0.40
CHRM3 P20309 2/20 0.40
CHRM5 P08912 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL8186175 0.96 ITGB3 (0.52) ITGB3ITGA2BATMCA2CHKA
SCHEMBL11489916 0.92 KDM1A (0.48) ITGB3ITGA2BATMCA2CHKA
SCHEMBL4000255 0.90 ITGB3 (0.46) ITGB3ITGA2BATMKDM1AHTR1A
SCHEMBL14084962 0.89 MAPT (0.48) ITGB3ITGA2BATMCA2CHKA
SCHEMBL8185716 0.85 PHGDH (0.47) ITGB3ITGA2BKDM1AHTR1AHTR7
SCHEMBL3459566 0.84 GLA (0.49) ITGB3ITGA2BKDM1AHTR1AHTR7
SCHEMBL4206170 0.84 KDM1A (0.43) ITGB3ITGA2BKDM1AHTR1AHTR7
SCHEMBL8191172 0.81 PHGDH (0.47) ITGB3ITGA2BCA2KDM1AHTR1A
SCHEMBL3439885 0.81 ATM (0.62) ATMHTR1AHTR7ALDH1A1SMN1; SMN2
SCHEMBL13043924 0.80 HRH3 (0.44) ITGB3ITGA2BKDM1AHTR1AHTR7

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-1606288-B1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN FOURNIER LAB SA (FR) 2009-06-03 EP disclosed
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
EP-1606288-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2005-12-21 EP disclosed
WO-2004087700-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2004-10-14 WO 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 ITGB3 4709/4885ITGA2B 4545/4885ATM 2832/4885

“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.