SCHEMBL3860417

SCHEMBL3860417

CC(C)(C)OC(=O)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.59
CACNB1 Q02641 11/20 0.59
CACNA1B Q00975 10/20 0.59
CACNA1C Q13936 9/20 0.59
CACNA1H O95180 1/20 0.59
CACNA1G O43497 3/20 0.55
CACNA1A O00555 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52

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
SCHEMBL26330969 0.83 CACNA2D1 (0.81) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
Hydrochloric Acid SCHEMBL4588106 0.81 GPR119 (0.51) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7411201 0.81 MC4R (0.51) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7411206 0.81 MC4R (0.51) CHRM2CHRM4CHRM1CHRM3
SCHEMBL4013471 0.80 KMT2A (0.67) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL4720508 0.80 HSD11B1 (0.60) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8268615 0.79 CACNA2D1 (0.71) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL2954681 0.79 TSHR (0.51) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3805489 0.79 CYP2D6 (0.57) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8115616 0.79 CYP2D6 (0.57) CHRM2CHRM4CHRM1CHRM3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231350-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (US) 2013-09-05 US disclosed
US-20130231350-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (US) 2013-09-05 US disclosed
US-20130184290-A1 SELF-EMULSIFYING FORMULATIONS AND METHODS OF USE THEREOF CAPSUGEL, Inc. (US) 2013-07-18 US disclosed
US-20130184290-A1 SELF-EMULSIFYING FORMULATIONS AND METHODS OF USE THEREOF CAPSUGEL, Inc. (US) 2013-07-18 US disclosed
US-8409560-B2 Solid dispersion formulations and methods of use thereof ZALICUS PHARMACEUTICALS LTD. (CA) 2013-04-02 US disclosed
US-8409560-B2 Solid dispersion formulations and methods of use thereof ZALICUS PHARMACEUTICALS LTD. (CA) 2013-04-02 US disclosed
US-20130035345-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2013-02-07 US disclosed
US-20130035345-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2013-02-07 US disclosed
US-20120252819-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. 2012-10-04 US disclosed
US-20120252819-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. 2012-10-04 US disclosed
WO-2007118323-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-10-25 WO disclosed
WO-2007118323-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-10-25 WO disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
EP-1670775-A1 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-06-21 EP disclosed
WO-2005021523-A1 PIPERAZINE SUBSTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2005-03-10 WO disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 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 (5 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-20130231350-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF SLC6A7, SLC6A1, PRNP CACNA2D1 3684/4885CACNB1 1597/4885CACNA1B 1368/4885
US-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D CACNA2D1 36/4885CACNB1 13/4885CACNA1B 1/4885
US-20130184290-A1 SELF-EMULSIFYING FORMULATIONS AND METHODS OF USE THEREOF NPC1L1, LIPA, NPC1 CACNA2D1 3981/4885CACNB1 2001/4885CACNA1B 2241/4885
US-20130035345-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF SLC6A7, SLC6A1, PRNP CACNA2D1 3684/4885CACNB1 1597/4885CACNA1B 1368/4885
US-20120252819-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF SLC6A7, SLC6A1, PRNP CACNA2D1 3684/4885CACNB1 1597/4885CACNA1B 1368/4885

“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.