SCHEMBL3999982

SCHEMBL3999982

CN1CCC(N(C)C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.62
ACHE P22303 1/20 0.58
CCR3 P51677 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
OPRM1 P35372 3/20 0.52
CHRM2 P08172 4/20 0.52
CHRM3 P20309 4/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL28173289 0.92 ACHE (0.64) MC4RACHECCR3SIGMAR1OPRM1
SCHEMBL3311545 0.89 ACHE (0.60) ACHECCR3SIGMAR1OPRM1CHRM2
SCHEMBL3828313 0.84 ACHE (0.54) ACHECCR3SIGMAR1OPRM1CHRM2
SCHEMBL2108897 0.83 ACHE (0.66) MC4RACHECCR3SIGMAR1OPRM1
SCHEMBL13432184 0.83 MC4R (0.70) MC4RACHECCR3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL2976109 0.82 ACHE (0.64) MC4RACHECCR3SIGMAR1OPRM1
SCHEMBL5570638 0.81 ACHE (0.62) ACHECCR3SIGMAR1OPRM1CHRM2
SCHEMBL19311894 0.81 ACHE (0.62) MC4RACHECCR3SIGMAR1OPRM1
SCHEMBL3316924 0.79 MC4R (0.64) MC4RACHECCR3SIGMAR1DRD2
SCHEMBL21375648 0.79 SIGMAR1 (0.60) ACHECCR3SIGMAR1OPRM1CHRM2

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 MC4R 1143/4885ACHE 188/4885CCR3 1553/4885

“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.