SCHEMBL3596897

SCHEMBL3596897

O=C(OCC(Cl)(Cl)Cl)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.61
CACNB1 Q02641 6/20 0.61
CACNA1B Q00975 5/20 0.61
CACNA1C Q13936 3/20 0.61
CACNA1G O43497 3/20 0.61
CACNA1A O00555 1/20 0.60
MGLL Q99685 3/20 0.57
ABHD6 Q9BV23 1/20 0.57
TACR3 P29371 1/20 0.55
GPX4 P36969 1/20 0.54
HRH1 P35367 3/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
DRD3 P35462 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KCNH2 Q12809 2/20 0.53
HRH2 P25021 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2B P41595 1/20 0.53
TEK Q02763 1/20 0.53

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
SCHEMBL588070 1.00 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL7662352 0.85 CACNA2D1 (0.64) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL13309487 0.81 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5688541 0.81 CACNA2D1 (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL12203725 0.80 MGLL (0.84) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4649907 0.78 MGLL (0.62) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL7665618 0.78 NPC1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL13309468 0.77 KMT2A (0.82) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL16769444 0.77 KMT2A (0.82) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5268519 0.76 CACNA2D1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed

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-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.