SCHEMBL5688541

SCHEMBL5688541

CC(C)(C)OC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.60
CACNB1 Q02641 6/20 0.60
CACNA1B Q00975 5/20 0.60
CACNA1C Q13936 3/20 0.60
CACNA1G O43497 2/20 0.60
MGLL Q99685 3/20 0.59
CACNA1A O00555 1/20 0.59
ABHD6 Q9BV23 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TACR3 P29371 1/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
DRD3 P35462 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KCNH2 Q12809 2/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
BCL2 P10415 1/20 0.57

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
SCHEMBL17276580 0.95 MGLL (0.64) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4013471 0.92 KMT2A (0.67) CACNA2D1CACNB1CACNA1BCACNA1CMGLL
SCHEMBL6797094 0.88 KMT2A (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL13309487 0.86 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL14367531 0.85 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL6792134 0.84 OPRD1 (0.63) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL12371643 0.84 MEN1 (0.56) MGLLABHD6KMT2AMEN1CYP3A4
SCHEMBL14051945 0.82 GPX4 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL12203725 0.82 MGLL (0.84) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4136263 0.82 SLC6A9 (0.63) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963296-B1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKOEDOE RESZVENYTARSASAG (HU) 2012-02-15 EP disclosed
US-7851627-B2 Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-12-14 US disclosed
US-7851627-B2 Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-12-14 US disclosed
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-03 US disclosed
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-03 US disclosed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO disclosed
EP-1236722-B1 Optically active 4-(tert-butoxycarbonyl) piperazine compound, and method for producing the same SUMITOMO CHEMICAL CO (JP) 2006-04-19 EP disclosed
US-6803465-B2 INTERMEDIATES FOR THE PRODUCTION OF ANTIALLERGIC PHARMACEUTICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-10-12 US disclosed
US-20020128275-A1 Optically active 4-(tert-butoxycarbonyl)piperazine compound, and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-09-12 US disclosed
EP-1236722-A1 Optically active 4-(tert-butoxycarbonyl) piperazine compound, and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-04 EP 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 (2 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-20020128275-A1 Optically active 4-(tert-butoxycarbonyl)piperazine compound, and method for producing the same TERT, TTI1, TBC1D15 CACNA2D1 1002/4885CACNB1 1139/4885CACNA1B 346/4885
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES HRH4, HRH1, HRH2 CACNA2D1 1056/4885CACNB1 2856/4885CACNA1B 1411/4885

“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.